N-(2-methylpropyl)undec-3-en-1-amine

C15H31N — CID 79599551

IUPACN-(2-methylpropyl)undec-3-en-1-amine
SMILESCCCCCCCC=CCCNCC(C)C
InChIInChI=1S/C15H31N/c1-4-5-6-7-8-9-10-11-12-13-16-14-15(2)3/h10-11,15-16H,4-9,12-14H2,1-3H3
InChIKeyPSRUCRIQKFXHCE-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.54
Rot. Bonds11

About N-(2-methylpropyl)undec-3-en-1-amine

N-(2-methylpropyl)undec-3-en-1-amine (PubChem CID 79599551) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-(2-methylpropyl)undec-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)undec-3-en-1-amine
PubChem CID79599551
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-(2-methylpropyl)undec-3-en-1-amine
SMILESCCCCCCCC=CCCNCC(C)C
InChIInChI=1S/C15H31N/c1-4-5-6-7-8-9-10-11-12-13-16-14-15(2)3/h10-11,15-16H,4-9,12-14H2,1-3H3
InChIKeyPSRUCRIQKFXHCE-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
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-propan-2-yldodec-3-en-1-amine
CID 79592983
2-[[(Z)-octadec-9-enyl]amino]ethane-1,1-diol
CID 134360654
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
(Z)-N-hexadecyloctadec-9-en-1-amine
CID 86624385
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
CID 162361236
(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
(24Z)-hexatriaconta-9,24-diene
CID 173127472
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)undec-3-en-1-amine?
The IUPAC name of N-(2-methylpropyl)undec-3-en-1-amine (CID 79599551) is N-(2-methylpropyl)undec-3-en-1-amine.
What is the SMILES notation for N-(2-methylpropyl)undec-3-en-1-amine?
The canonical SMILES for N-(2-methylpropyl)undec-3-en-1-amine is CCCCCCCC=CCCNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)undec-3-en-1-amine?
The InChIKey is PSRUCRIQKFXHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-5-6-7-8-9-10-11-12-13-16-14-15(2)3/h10-11,15-16H,4-9,12-14H2,1-3H3.
What are the key properties of N-(2-methylpropyl)undec-3-en-1-amine?
N-(2-methylpropyl)undec-3-en-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)undec-3-en-1-amine is sourced from PubChem (CID 79599551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).