N-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine

C25H26N2O — CID 118138016

IUPACN-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine
SMILESC=CCn1c2ccccc2c2ccc(OCCCNCc3ccccc3)cc21
InChIInChI=1S/C25H26N2O/c1-2-16-27-24-12-7-6-11-22(24)23-14-13-21(18-25(23)27)28-17-8-15-26-19-20-9-4-3-5-10-20/h2-7,9-14,18,26H,1,8,15-17,19H2
InChIKeyPZJRPKYLAPPPRQ-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.54
Rot. Bonds9

About N-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine

N-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine (PubChem CID 118138016) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine
PubChem CID118138016
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC NameN-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine
SMILESC=CCn1c2ccccc2c2ccc(OCCCNCc3ccccc3)cc21
InChIInChI=1S/C25H26N2O/c1-2-16-27-24-12-7-6-11-22(24)23-14-13-21(18-25(23)27)28-17-8-15-26-19-20-9-4-3-5-10-20/h2-7,9-14,18,26H,1,8,15-17,19H2
InChIKeyPZJRPKYLAPPPRQ-UHFFFAOYSA-N
XLogP5.54
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(9-prop-2-enylcarbazol-2-yl)oxypropyl]aniline
CID 118138065
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
2-[2-(5-phenoxypentoxy)carbazol-9-yl]acetic acid
CID 58948689
2-dodecoxy-9-dodecylcarbazole
CID 15163810
2-octoxy-9-octylcarbazole
CID 15163804
9-octadecyl-2-octoxycarbazole
CID 15163807
N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine
CID 10291800
N-benzyl-4-(3-bromophenoxy)butan-1-amine
CID 2183434
N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride
CID 10229043
2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948597
2-[2-[4-(6-methoxynaphthalen-2-yl)oxybutoxy]carbazol-9-yl]acetic acid
CID 23627235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine?
The IUPAC name of N-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine (CID 118138016) is N-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine.
What is the SMILES notation for N-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine?
The canonical SMILES for N-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine is C=CCn1c2ccccc2c2ccc(OCCCNCc3ccccc3)cc21.
What is the InChIKey of N-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine?
The InChIKey is PZJRPKYLAPPPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-2-16-27-24-12-7-6-11-22(24)23-14-13-21(18-25(23)27)28-17-8-15-26-19-20-9-4-3-5-10-20/h2-7,9-14,18,26H,1,8,15-17,19H2.
What are the key properties of N-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine?
N-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine has a molecular weight of 370.50 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(9-prop-2-enylcarbazol-2-yl)oxypropan-1-amine is sourced from PubChem (CID 118138016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).