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

C23H21N — CID 101142133

IUPACN-ethyl-N-methylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine
SMILESCCN(C)C12c3ccccc3C(c3ccccc31)c1ccccc12
InChIInChI=1S/C23H21N/c1-3-24(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
InChIKeyDABYKMBRSOZHGJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.74
Rot. Bonds2

About N-ethyl-N-methylpentacyclo[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-methylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine (PubChem CID 101142133) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is N-ethyl-N-methylpentacyclo[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-methylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine
PubChem CID101142133
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC NameN-ethyl-N-methylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine
SMILESCCN(C)C12c3ccccc3C(c3ccccc31)c1ccccc12
InChIInChI=1S/C23H21N/c1-3-24(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
InChIKeyDABYKMBRSOZHGJ-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylpentacyclo[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-methylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine (CID 101142133) is N-ethyl-N-methylpentacyclo[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-methylpentacyclo[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-methylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-amine is CCN(C)C12c3ccccc3C(c3ccccc31)c1ccccc12.
What is the InChIKey of N-ethyl-N-methylpentacyclo[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 DABYKMBRSOZHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N/c1-3-24(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-methylpentacyclo[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-methylpentacyclo[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 311.43 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylpentacyclo[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 101142133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).