N,3-dimethylpentan-1-amine;prop-1-ene

C10H23N — CID 171815498

IUPACN,3-dimethylpentan-1-amine;prop-1-ene
SMILESC=CC.CCC(C)CCNC
InChIInChI=1S/C7H17N.C3H6/c1-4-7(2)5-6-8-3;1-3-2/h7-8H,4-6H2,1-3H3;3H,1H2,2H3
InChIKeyJOOOIGMFWXRBMZ-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.83
Rot. Bonds4

About N,3-dimethylpentan-1-amine;prop-1-ene

N,3-dimethylpentan-1-amine;prop-1-ene (PubChem CID 171815498) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is N,3-dimethylpentan-1-amine;prop-1-ene.

Molecular Properties

Compound NameN,3-dimethylpentan-1-amine;prop-1-ene
PubChem CID171815498
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC NameN,3-dimethylpentan-1-amine;prop-1-ene
SMILESC=CC.CCC(C)CCNC
InChIInChI=1S/C7H17N.C3H6/c1-4-7(2)5-6-8-3;1-3-2/h7-8H,4-6H2,1-3H3;3H,1H2,2H3
InChIKeyJOOOIGMFWXRBMZ-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,3-dimethylpentan-1-amine;prop-1-ene 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,3-dimethylpentan-1-amine;ethane
CID 142089517
N,3,6-trimethylnonan-1-amine
CID 139316935
N,N',2-trimethylbutane-1,4-diamine
CID 118562812
ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene
CID 156818429
prop-1-ene;3,6,7-trimethylundecane
CID 145154511
N-methyl-2-(4-methylhexoxy)ethanamine
CID 138736664
N,3-dimethylnonan-1-amine
CID 81019354
ethane;N,3,4-trimethylhexan-1-amine
CID 145138668
N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine
CID 123518581
(3-methylpentylamino)methanethiol
CID 155346483
N,3-dimethylpentan-1-amine;ethane;2-[2-ethenyl-3-(1-fluoroethenyl)pyrrol-1-yl]acetic acid
CID 143396176
ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine
CID 171815778

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylpentan-1-amine;prop-1-ene?
The IUPAC name of N,3-dimethylpentan-1-amine;prop-1-ene (CID 171815498) is N,3-dimethylpentan-1-amine;prop-1-ene.
What is the SMILES notation for N,3-dimethylpentan-1-amine;prop-1-ene?
The canonical SMILES for N,3-dimethylpentan-1-amine;prop-1-ene is C=CC.CCC(C)CCNC.
What is the InChIKey of N,3-dimethylpentan-1-amine;prop-1-ene?
The InChIKey is JOOOIGMFWXRBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.C3H6/c1-4-7(2)5-6-8-3;1-3-2/h7-8H,4-6H2,1-3H3;3H,1H2,2H3.
What are the key properties of N,3-dimethylpentan-1-amine;prop-1-ene?
N,3-dimethylpentan-1-amine;prop-1-ene has a molecular weight of 157.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylpentan-1-amine;prop-1-ene is sourced from PubChem (CID 171815498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).