N-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine

C23H21NO — CID 15499499

IUPACN-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine
SMILESCCN(OC)C12c3ccccc3C(c3ccccc31)c1ccccc12
InChIInChI=1S/C23H21NO/c1-3-24(25-2)23-19-13-7-4-10-16(19)22(17-11-5-8-14-20(17)23)18-12-6-9-15-21(18)23/h4-15,22H,3H2,1-2H3
InChIKeyBTYDMHPMHNGOPD-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.67
Rot. Bonds3

About N-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine

N-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine (PubChem CID 15499499) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is N-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine
PubChem CID15499499
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC NameN-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine
SMILESCCN(OC)C12c3ccccc3C(c3ccccc31)c1ccccc12
InChIInChI=1S/C23H21NO/c1-3-24(25-2)23-19-13-7-4-10-16(19)22(17-11-5-8-14-20(17)23)18-12-6-9-15-21(18)23/h4-15,22H,3H2,1-2H3
InChIKeyBTYDMHPMHNGOPD-UHFFFAOYSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)acetamide
CID 100944487
1-(4,5-dimethoxy-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-4,5-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 15362649
1-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenylselanylsulfanylselanyl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 12022631
methyl 4-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)butanoate
CID 59926308
1-(4-chlorophenyl)selanylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 25149272
dichloro(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)arsane
CID 101340576
trimethyl-[2-methyl-1-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)prop-1-enyl]sulfanylsilane
CID 101476212
pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-1-seleninic acid
CID 10522832
N,N-diethyl-4-(10-ethyl-9H-acridin-9-yl)-3-methoxyaniline
CID 68638117
1-(aminomethyl)-N-ethyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 113305935
methyl (E)-3-[dimethyl(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)silyl]prop-2-enoate
CID 102465210
(1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56896346

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine?
The IUPAC name of N-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine (CID 15499499) is N-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine.
What is the SMILES notation for N-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine?
The canonical SMILES for N-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine is CCN(OC)C12c3ccccc3C(c3ccccc31)c1ccccc12.
What is the InChIKey of N-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine?
The InChIKey is BTYDMHPMHNGOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-3-24(25-2)23-19-13-7-4-10-16(19)22(17-11-5-8-14-20(17)23)18-12-6-9-15-21(18)23/h4-15,22H,3H2,1-2H3.
What are the key properties of N-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine?
N-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine has a molecular weight of 327.43 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine is sourced from PubChem (CID 15499499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).