1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine

C31H63N — CID 126711427

IUPAC1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine
SMILESCCCCCCCCCCCCC1CC1CCCCC(CCCCCCCCC)N(C)C
InChIInChI=1S/C31H63N/c1-5-7-9-11-13-14-15-17-18-20-24-29-28-30(29)25-22-23-27-31(32(3)4)26-21-19-16-12-10-8-6-2/h29-31H,5-28H2,1-4H3
InChIKeyASURHKWOKKECNA-UHFFFAOYSA-N
MW449.85 g/mol
LogP10.56
Rot. Bonds25

About 1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine

1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine (PubChem CID 126711427) has the molecular formula C31H63N and a molecular weight of 449.85 g/mol. Its IUPAC name is 1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine.

Molecular Properties

Compound Name1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine
PubChem CID126711427
Molecular FormulaC31H63N
Molecular Weight449.85 g/mol
Exact Mass449.50
IUPAC Name1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine
SMILESCCCCCCCCCCCCC1CC1CCCCC(CCCCCCCCC)N(C)C
InChIInChI=1S/C31H63N/c1-5-7-9-11-13-14-15-17-18-20-24-29-28-30(29)25-22-23-27-31(32(3)4)26-21-19-16-12-10-8-6-2/h29-31H,5-28H2,1-4H3
InChIKeyASURHKWOKKECNA-UHFFFAOYSA-N
XLogP10.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.85
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-21-[(1S,2R)-2-octylcyclopropyl]henicosan-10-amine
CID 56944623
(8S)-N,N-dimethyl-1-[(2R)-2-octylcyclopropyl]pentadecan-8-amine
CID 126566336
N,N-dimethyl-1-(2-nonylcyclopropyl)heptadecan-8-amine
CID 138529106
1-[(1S,2S)-2-(cyclopropylmethyl)cyclopropyl]-N,N-dimethylnonadecan-10-amine
CID 142721086
9-N,9-N,26-N,26-N-tetramethyl-16-[(1S,2R)-2-octylcyclopropyl]-35-[(1S,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]pentatriacontane-9,26-diamine
CID 121245733
methyl 8-[2-[9-(dimethylamino)heptadecyl]cyclopropyl]octanoate
CID 71679970
ethyl 4-[2-[11-(dimethylamino)icosyl]cyclopropyl]butanoate
CID 71678300
ethyl 6-[2-[9-(dimethylamino)hexadecyl]cyclopropyl]hexanoate
CID 71678297
ethyl 8-[2-[9-(dimethylamino)hexadecyl]cyclopropyl]octanoate
CID 71678465
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553

Frequently Asked Questions

What is the IUPAC name of 1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine?
The IUPAC name of 1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine (CID 126711427) is 1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine.
What is the SMILES notation for 1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine?
The canonical SMILES for 1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine is CCCCCCCCCCCCC1CC1CCCCC(CCCCCCCCC)N(C)C.
What is the InChIKey of 1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine?
The InChIKey is ASURHKWOKKECNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H63N/c1-5-7-9-11-13-14-15-17-18-20-24-29-28-30(29)25-22-23-27-31(32(3)4)26-21-19-16-12-10-8-6-2/h29-31H,5-28H2,1-4H3.
What are the key properties of 1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine?
1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine has a molecular weight of 449.85 g/mol, XLogP of 10.56, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine is sourced from PubChem (CID 126711427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).