N-propan-2-yldodec-3-en-1-amine

C15H31N — CID 79592983

IUPACN-propan-2-yldodec-3-en-1-amine
SMILESCCCCCCCCC=CCCNC(C)C
InChIInChI=1S/C15H31N/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(2)3/h11-12,15-16H,4-10,13-14H2,1-3H3
InChIKeyYKPYJOTYDAHUOP-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.68
Rot. Bonds11

About N-propan-2-yldodec-3-en-1-amine

N-propan-2-yldodec-3-en-1-amine (PubChem CID 79592983) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-propan-2-yldodec-3-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yldodec-3-en-1-amine
PubChem CID79592983
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-propan-2-yldodec-3-en-1-amine
SMILESCCCCCCCCC=CCCNC(C)C
InChIInChI=1S/C15H31N/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(2)3/h11-12,15-16H,4-10,13-14H2,1-3H3
InChIKeyYKPYJOTYDAHUOP-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.68
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

2-[[(E)-non-3-enyl]amino]propanenitrile
CID 101282840
N-propan-2-ylicosan-1-amine
CID 87246132
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yldodec-3-en-1-amine?
The IUPAC name of N-propan-2-yldodec-3-en-1-amine (CID 79592983) is N-propan-2-yldodec-3-en-1-amine.
What is the SMILES notation for N-propan-2-yldodec-3-en-1-amine?
The canonical SMILES for N-propan-2-yldodec-3-en-1-amine is CCCCCCCCC=CCCNC(C)C.
What is the InChIKey of N-propan-2-yldodec-3-en-1-amine?
The InChIKey is YKPYJOTYDAHUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(2)3/h11-12,15-16H,4-10,13-14H2,1-3H3.
What are the key properties of N-propan-2-yldodec-3-en-1-amine?
N-propan-2-yldodec-3-en-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.68, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yldodec-3-en-1-amine is sourced from PubChem (CID 79592983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).