N,4-dipropyldodec-11-en-5-amine

C18H37N — CID 107011617

IUPACN,4-dipropyldodec-11-en-5-amine
SMILESC=CCCCCCC(NCCC)C(CCC)CCC
InChIInChI=1S/C18H37N/c1-5-9-10-11-12-15-18(19-16-8-4)17(13-6-2)14-7-3/h5,17-19H,1,6-16H2,2-4H3
InChIKeyKLXYMNBQUPCFBC-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.71
Rot. Bonds14

About N,4-dipropyldodec-11-en-5-amine

N,4-dipropyldodec-11-en-5-amine (PubChem CID 107011617) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N,4-dipropyldodec-11-en-5-amine.

Molecular Properties

Compound NameN,4-dipropyldodec-11-en-5-amine
PubChem CID107011617
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN,4-dipropyldodec-11-en-5-amine
SMILESC=CCCCCCC(NCCC)C(CCC)CCC
InChIInChI=1S/C18H37N/c1-5-9-10-11-12-15-18(19-16-8-4)17(13-6-2)14-7-3/h5,17-19H,1,6-16H2,2-4H3
InChIKeyKLXYMNBQUPCFBC-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,6-dipropylnon-1-en-5-amine
CID 104987362
N,4-dipropyldodecan-5-amine
CID 115832095
2,3-dimethyl-N-propylundec-10-en-4-amine
CID 107012008
2-ethoxy-N-propyldec-9-en-3-amine
CID 107009140
1,1-dimethoxy-N-propylhept-6-en-2-amine
CID 79493073
1-methoxy-N-propyldec-9-en-3-amine
CID 107008934
9-propyldodec-1-ene
CID 174048054
N-propylundec-1-en-5-amine
CID 104987530
2-methoxy-2-methyl-N-propyldec-9-en-3-amine
CID 107009419
13-methylhexadec-1-ene
CID 71373615
5-ethyl-N-propyltetradecan-6-amine
CID 115835262
2-ethoxy-N-propylhept-6-en-3-amine
CID 64533204

Frequently Asked Questions

What is the IUPAC name of N,4-dipropyldodec-11-en-5-amine?
The IUPAC name of N,4-dipropyldodec-11-en-5-amine (CID 107011617) is N,4-dipropyldodec-11-en-5-amine.
What is the SMILES notation for N,4-dipropyldodec-11-en-5-amine?
The canonical SMILES for N,4-dipropyldodec-11-en-5-amine is C=CCCCCCC(NCCC)C(CCC)CCC.
What is the InChIKey of N,4-dipropyldodec-11-en-5-amine?
The InChIKey is KLXYMNBQUPCFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-9-10-11-12-15-18(19-16-8-4)17(13-6-2)14-7-3/h5,17-19H,1,6-16H2,2-4H3.
What are the key properties of N,4-dipropyldodec-11-en-5-amine?
N,4-dipropyldodec-11-en-5-amine has a molecular weight of 267.50 g/mol, XLogP of 5.71, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dipropyldodec-11-en-5-amine is sourced from PubChem (CID 107011617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).