N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine

C19H37N — CID 60668799

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine
SMILESCCCCCCCCCCNC(C)C1CC2CCC1C2
InChIInChI=1S/C19H37N/c1-3-4-5-6-7-8-9-10-13-20-16(2)19-15-17-11-12-18(19)14-17/h16-20H,3-15H2,1-2H3
InChIKeyVZTKAYOHWGDWQG-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.54
Rot. Bonds11

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine (PubChem CID 60668799) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine
PubChem CID60668799
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine
SMILESCCCCCCCCCCNC(C)C1CC2CCC1C2
InChIInChI=1S/C19H37N/c1-3-4-5-6-7-8-9-10-13-20-16(2)19-15-17-11-12-18(19)14-17/h16-20H,3-15H2,1-2H3
InChIKeyVZTKAYOHWGDWQG-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.54
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-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxypropan-1-amine
CID 65176203
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807622
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide
CID 103604103
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-butylthiourea
CID 19651483
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
CID 60884968
N-(1-cyclopropylethyl)dodecan-1-amine
CID 55195999
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide
CID 98297363
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine
CID 43178312
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine
CID 123669441
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine (CID 60668799) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine is CCCCCCCCCCNC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine?
The InChIKey is VZTKAYOHWGDWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-3-4-5-6-7-8-9-10-13-20-16(2)19-15-17-11-12-18(19)14-17/h16-20H,3-15H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.54, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine is sourced from PubChem (CID 60668799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).