N-(1-cyclopropylethyl)dodecan-1-amine

C17H35N — CID 55195999

IUPACN-(1-cyclopropylethyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNC(C)C1CC1
InChIInChI=1S/C17H35N/c1-3-4-5-6-7-8-9-10-11-12-15-18-16(2)17-13-14-17/h16-18H,3-15H2,1-2H3
InChIKeyBNSDHXIIGGKOGP-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.30
Rot. Bonds13

About N-(1-cyclopropylethyl)dodecan-1-amine

N-(1-cyclopropylethyl)dodecan-1-amine (PubChem CID 55195999) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)dodecan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)dodecan-1-amine
PubChem CID55195999
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-(1-cyclopropylethyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNC(C)C1CC1
InChIInChI=1S/C17H35N/c1-3-4-5-6-7-8-9-10-11-12-15-18-16(2)17-13-14-17/h16-18H,3-15H2,1-2H3
InChIKeyBNSDHXIIGGKOGP-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
CID 115566809
6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
CID 107703530
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 43308547

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)dodecan-1-amine?
The IUPAC name of N-(1-cyclopropylethyl)dodecan-1-amine (CID 55195999) is N-(1-cyclopropylethyl)dodecan-1-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)dodecan-1-amine?
The canonical SMILES for N-(1-cyclopropylethyl)dodecan-1-amine is CCCCCCCCCCCCNC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)dodecan-1-amine?
The InChIKey is BNSDHXIIGGKOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-3-4-5-6-7-8-9-10-11-12-15-18-16(2)17-13-14-17/h16-18H,3-15H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)dodecan-1-amine?
N-(1-cyclopropylethyl)dodecan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.30, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)dodecan-1-amine is sourced from PubChem (CID 55195999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).