N-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine

C24H41N3 — CID 159137270

IUPACN-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine
SMILESCCCCCCCCCCNC(C)C1CC1.NCc1cc2ccccc2[nH]1
InChIInChI=1S/C15H31N.C9H10N2/c1-3-4-5-6-7-8-9-10-13-16-14(2)15-11-12-15;10-6-8-5-7-3-1-2-4-9(7)11-8/h14-16H,3-13H2,1-2H3;1-5,11H,6,10H2
InChIKeyKHQNOQAXLIRSIN-UHFFFAOYSA-N
MW371.61 g/mol
LogP6.14
Rot. Bonds12

About N-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine

N-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine (PubChem CID 159137270) has the molecular formula C24H41N3 and a molecular weight of 371.61 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine
PubChem CID159137270
Molecular FormulaC24H41N3
Molecular Weight371.61 g/mol
Exact Mass371.33
IUPAC NameN-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine
SMILESCCCCCCCCCCNC(C)C1CC1.NCc1cc2ccccc2[nH]1
InChIInChI=1S/C15H31N.C9H10N2/c1-3-4-5-6-7-8-9-10-13-16-14(2)15-11-12-15;10-6-8-5-7-3-1-2-4-9(7)11-8/h14-16H,3-13H2,1-2H3;1-5,11H,6,10H2
InChIKeyKHQNOQAXLIRSIN-UHFFFAOYSA-N
XLogP6.14
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine?
The IUPAC name of N-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine (CID 159137270) is N-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine.
What is the SMILES notation for N-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine?
The canonical SMILES for N-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine is CCCCCCCCCCNC(C)C1CC1.NCc1cc2ccccc2[nH]1.
What is the InChIKey of N-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine?
The InChIKey is KHQNOQAXLIRSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.C9H10N2/c1-3-4-5-6-7-8-9-10-13-16-14(2)15-11-12-15;10-6-8-5-7-3-1-2-4-9(7)11-8/h14-16H,3-13H2,1-2H3;1-5,11H,6,10H2.
What are the key properties of N-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine?
N-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine has a molecular weight of 371.61 g/mol, XLogP of 6.14, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)decan-1-amine;1H-indol-2-ylmethanamine is sourced from PubChem (CID 159137270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).