(2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine

C30H61N — CID 175488077

IUPAC(2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine
SMILESCCCCCCCCCC(CCCCC[C@@H](C)C1(CCCCCCCC)CC1)N(C)C
InChIInChI=1S/C30H61N/c1-6-8-10-12-14-15-19-23-29(31(4)5)24-20-17-18-22-28(3)30(26-27-30)25-21-16-13-11-9-7-2/h28-29H,6-27H2,1-5H3/t28-,29?/m1/s1
InChIKeyMRZLFFWHBVTJMX-FICMROCWSA-N
MW435.83 g/mol
LogP10.17
Rot. Bonds23

About (2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine

(2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine (PubChem CID 175488077) has the molecular formula C30H61N and a molecular weight of 435.83 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine
PubChem CID175488077
Molecular FormulaC30H61N
Molecular Weight435.83 g/mol
Exact Mass435.48
IUPAC Name(2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine
SMILESCCCCCCCCCC(CCCCC[C@@H](C)C1(CCCCCCCC)CC1)N(C)C
InChIInChI=1S/C30H61N/c1-6-8-10-12-14-15-19-23-29(31(4)5)24-20-17-18-22-28(3)30(26-27-30)25-21-16-13-11-9-7-2/h28-29H,6-27H2,1-5H3/t28-,29?/m1/s1
InChIKeyMRZLFFWHBVTJMX-FICMROCWSA-N
XLogP10.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.83
LogP ≤ 510.17
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

(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylicosan-5-amine
CID 19862397
1-(1-hexylcyclopropyl)ethanol
CID 106798180
N,N-dimethyltetracos-17-en-9-amine
CID 123150200
1-chloro-N,N-dimethylheptadecan-6-amine;hydrobromide
CID 173305145
16-bromo-N,N-dimethylhexadecan-8-amine;hydrobromide
CID 175431925
(Z)-N,N-dimethyltetratriacont-25-en-17-amine
CID 87229276
(Z,10R)-N,N-dimethylnonacos-17-en-10-amine
CID 126711357
N,N-dimethyldotriacont-24-en-10-amine
CID 175230423

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine?
The IUPAC name of (2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine (CID 175488077) is (2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine.
What is the SMILES notation for (2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine?
The canonical SMILES for (2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine is CCCCCCCCCC(CCCCC[C@@H](C)C1(CCCCCCCC)CC1)N(C)C.
What is the InChIKey of (2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine?
The InChIKey is MRZLFFWHBVTJMX-FICMROCWSA-N. The full InChI is InChI=1S/C30H61N/c1-6-8-10-12-14-15-19-23-29(31(4)5)24-20-17-18-22-28(3)30(26-27-30)25-21-16-13-11-9-7-2/h28-29H,6-27H2,1-5H3/t28-,29?/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine?
(2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine has a molecular weight of 435.83 g/mol, XLogP of 10.17, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine is sourced from PubChem (CID 175488077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).