N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine

C33H58N2 — CID 137414440

IUPACN-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine
SMILESC=C(CCCCCCCCCCCCCCCCCCC)NCCc1c[nH]cccc(C)cc1C
InChIInChI=1S/C33H58N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32(4)35-27-25-33-29-34-26-22-23-30(2)28-31(33)3/h22-23,26,28-29,34-35H,4-21,24-25,27H2,1-3H3/b26-22-,30-23-,31-28-,33-29-
InChIKeyCZGVIAFYMACRNR-XASRVIABSA-N
MW482.84 g/mol
LogP10.44
Rot. Bonds22

About N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine

N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine (PubChem CID 137414440) has the molecular formula C33H58N2 and a molecular weight of 482.84 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine
PubChem CID137414440
Molecular FormulaC33H58N2
Molecular Weight482.84 g/mol
Exact Mass482.46
IUPAC NameN-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine
SMILESC=C(CCCCCCCCCCCCCCCCCCC)NCCc1c[nH]cccc(C)cc1C
InChIInChI=1S/C33H58N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32(4)35-27-25-33-29-34-26-22-23-30(2)28-31(33)3/h22-23,26,28-29,34-35H,4-21,24-25,27H2,1-3H3/b26-22-,30-23-,31-28-,33-29-
InChIKeyCZGVIAFYMACRNR-XASRVIABSA-N
XLogP10.44
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.84
LogP ≤ 510.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine
CID 137414411
N-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine
CID 137414316
N-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]henicos-1-en-2-amine
CID 137414303
N-butylhept-1-en-2-amine
CID 170620308
3-[2-(henicos-1-en-2-ylamino)ethyl]-N-prop-2-enyl-N-propyl-1H-indol-5-amine
CID 137414395
1-methyl-3-oct-1-en-2-ylbenzene
CID 102357647
N-[3-(3,4-dimethylphenyl)prop-1-en-2-yl]hexan-1-amine
CID 169229380
2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide
CID 174517586
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
N-(4-pyrimidin-2-ylbut-1-en-2-yl)pentan-1-amine
CID 154643200
N-(4-methylidenehexyl)hept-1-en-2-amine
CID 167138556
ethane;2-methyl-4-(6-methylhept-6-enyl)-1-octylbenzene
CID 142267466

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine?
The IUPAC name of N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine (CID 137414440) is N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine.
What is the SMILES notation for N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine?
The canonical SMILES for N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine is C=C(CCCCCCCCCCCCCCCCCCC)NCCc1c[nH]cccc(C)cc1C.
What is the InChIKey of N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine?
The InChIKey is CZGVIAFYMACRNR-XASRVIABSA-N. The full InChI is InChI=1S/C33H58N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32(4)35-27-25-33-29-34-26-22-23-30(2)28-31(33)3/h22-23,26,28-29,34-35H,4-21,24-25,27H2,1-3H3/b26-22-,30-23-,31-28-,33-29-.
What are the key properties of N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine?
N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine has a molecular weight of 482.84 g/mol, XLogP of 10.44, 22 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine is sourced from PubChem (CID 137414440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).