N-(1-methoxypentan-2-yl)hex-5-en-2-amine

C12H25NO — CID 104655717

IUPACN-(1-methoxypentan-2-yl)hex-5-en-2-amine
SMILESC=CCCC(C)NC(CCC)COC
InChIInChI=1S/C12H25NO/c1-5-7-9-11(3)13-12(8-6-2)10-14-4/h5,11-13H,1,6-10H2,2-4H3
InChIKeyFEKRQWSNFVAUNN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds9

About N-(1-methoxypentan-2-yl)hex-5-en-2-amine

N-(1-methoxypentan-2-yl)hex-5-en-2-amine (PubChem CID 104655717) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)hex-5-en-2-amine
PubChem CID104655717
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(1-methoxypentan-2-yl)hex-5-en-2-amine
SMILESC=CCCC(C)NC(CCC)COC
InChIInChI=1S/C12H25NO/c1-5-7-9-11(3)13-12(8-6-2)10-14-4/h5,11-13H,1,6-10H2,2-4H3
InChIKeyFEKRQWSNFVAUNN-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-methoxypentan-2-yl)hex-5-en-2-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

4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol
CID 115722644
N-but-3-en-2-yl-1-methoxypentan-2-amine
CID 107907040
5-methoxy-4-N-pentan-2-ylpentane-1,4-diamine
CID 103387026
3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol
CID 115722621
2-(hex-5-en-2-ylamino)-3-methoxypropanamide
CID 104584141
1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol
CID 115721276
3-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582668
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
N-(4-methoxybutan-2-yl)octan-4-amine
CID 103748088
N-pent-4-en-2-ylhexan-3-amine
CID 103921873
methyl 2-(hex-5-en-2-ylamino)-3-methylpentanoate
CID 104655556
N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine
CID 114829888

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)hex-5-en-2-amine?
The IUPAC name of N-(1-methoxypentan-2-yl)hex-5-en-2-amine (CID 104655717) is N-(1-methoxypentan-2-yl)hex-5-en-2-amine.
What is the SMILES notation for N-(1-methoxypentan-2-yl)hex-5-en-2-amine?
The canonical SMILES for N-(1-methoxypentan-2-yl)hex-5-en-2-amine is C=CCCC(C)NC(CCC)COC.
What is the InChIKey of N-(1-methoxypentan-2-yl)hex-5-en-2-amine?
The InChIKey is FEKRQWSNFVAUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-9-11(3)13-12(8-6-2)10-14-4/h5,11-13H,1,6-10H2,2-4H3.
What are the key properties of N-(1-methoxypentan-2-yl)hex-5-en-2-amine?
N-(1-methoxypentan-2-yl)hex-5-en-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)hex-5-en-2-amine is sourced from PubChem (CID 104655717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).