N-propylheptadec-2-yn-6-amine

C20H39N — CID 105037149

IUPACN-propylheptadec-2-yn-6-amine
SMILESCC#CCCC(CCCCCCCCCCC)NCCC
InChIInChI=1S/C20H39N/c1-4-7-9-10-11-12-13-14-16-18-20(21-19-6-3)17-15-8-5-2/h20-21H,4,6-7,9-19H2,1-3H3
InChIKeyDLEPAKWSVQAWBV-UHFFFAOYSA-N
MW293.54 g/mol
LogP6.08
Rot. Bonds15

About N-propylheptadec-2-yn-6-amine

N-propylheptadec-2-yn-6-amine (PubChem CID 105037149) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-propylheptadec-2-yn-6-amine.

Molecular Properties

Compound NameN-propylheptadec-2-yn-6-amine
PubChem CID105037149
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-propylheptadec-2-yn-6-amine
SMILESCC#CCCC(CCCCCCCCCCC)NCCC
InChIInChI=1S/C20H39N/c1-4-7-9-10-11-12-13-14-16-18-20(21-19-6-3)17-15-8-5-2/h20-21H,4,6-7,9-19H2,1-3H3
InChIKeyDLEPAKWSVQAWBV-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propyldodec-2-yn-6-amine
CID 105037370
N-propylhexadec-1-yn-5-amine
CID 115859157
N-propylundec-1-yn-5-amine
CID 115859385
N-propyldodec-1-yn-5-amine
CID 115859300
N-propyldodec-1-yn-4-amine
CID 114977040
N-propylnon-1-en-7-yn-4-amine
CID 116661079
3-(propylamino)dodecan-1-ol
CID 114078400
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
1-methoxy-N-propyldodecan-4-amine
CID 65091880
N-propylundec-1-en-5-amine
CID 104987530
1-phenyl-N-propylhept-5-yn-2-amine
CID 104804600
1-cycloheptyl-N-propylhept-5-yn-2-amine
CID 105037098

Frequently Asked Questions

What is the IUPAC name of N-propylheptadec-2-yn-6-amine?
The IUPAC name of N-propylheptadec-2-yn-6-amine (CID 105037149) is N-propylheptadec-2-yn-6-amine.
What is the SMILES notation for N-propylheptadec-2-yn-6-amine?
The canonical SMILES for N-propylheptadec-2-yn-6-amine is CC#CCCC(CCCCCCCCCCC)NCCC.
What is the InChIKey of N-propylheptadec-2-yn-6-amine?
The InChIKey is DLEPAKWSVQAWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-4-7-9-10-11-12-13-14-16-18-20(21-19-6-3)17-15-8-5-2/h20-21H,4,6-7,9-19H2,1-3H3.
What are the key properties of N-propylheptadec-2-yn-6-amine?
N-propylheptadec-2-yn-6-amine has a molecular weight of 293.54 g/mol, XLogP of 6.08, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylheptadec-2-yn-6-amine is sourced from PubChem (CID 105037149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).