3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine

C14H29N — CID 145355662

IUPAC3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine
SMILESC/C=C(\C)CN(CCC)CCC(C)CC
InChIInChI=1S/C14H29N/c1-6-10-15(12-14(5)8-3)11-9-13(4)7-2/h8,13H,6-7,9-12H2,1-5H3/b14-8+
InChIKeyXXOFLXPORABZIB-RIYZIHGNSA-N
MW211.39 g/mol
LogP4.10
Rot. Bonds8

About 3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine

3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine (PubChem CID 145355662) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine
PubChem CID145355662
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine
SMILESC/C=C(\C)CN(CCC)CCC(C)CC
InChIInChI=1S/C14H29N/c1-6-10-15(12-14(5)8-3)11-9-13(4)7-2/h8,13H,6-7,9-12H2,1-5H3/b14-8+
InChIKeyXXOFLXPORABZIB-RIYZIHGNSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-methyl-N-[(E)-2-methylbut-2-enyl]pentan-1-amine
CID 145355683
N-ethyl-3-methyl-N-propylpentan-1-amine
CID 126690332
3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
CID 145192300
N-(2-methylbut-2-enyl)-N-pentylpentan-1-amine;hydrochloride
CID 155652944
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
N-ethyl-4-methyl-N-propylhexan-1-amine
CID 142891130
2-[3-methylpentyl(propyl)amino]ethyl 2-amino-3-methylbutanoate
CID 123845867
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
2-[[(E)-2-methyl-3-trimethylsilylprop-2-enyl]-propylamino]ethanol
CID 102513893
ethane;3-methylheptane;propan-2-imine
CID 142132474
2,7-dimethylnona-2,3-diene
CID 123700198
3-methylhexane;2-methylprop-1-ene
CID 165405684

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine?
The IUPAC name of 3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine (CID 145355662) is 3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine.
What is the SMILES notation for 3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine?
The canonical SMILES for 3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine is C/C=C(\C)CN(CCC)CCC(C)CC.
What is the InChIKey of 3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine?
The InChIKey is XXOFLXPORABZIB-RIYZIHGNSA-N. The full InChI is InChI=1S/C14H29N/c1-6-10-15(12-14(5)8-3)11-9-13(4)7-2/h8,13H,6-7,9-12H2,1-5H3/b14-8+.
What are the key properties of 3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine?
3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine is sourced from PubChem (CID 145355662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).