N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine

C12H25NO — CID 116500457

IUPACN-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine
SMILESCOCCC(C)C(C)CCNC1CC1
InChIInChI=1S/C12H25NO/c1-10(11(2)7-9-14-3)6-8-13-12-4-5-12/h10-13H,4-9H2,1-3H3
InChIKeyKHXGWEKCMFFTFV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds8

About N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine

N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine (PubChem CID 116500457) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine.

Molecular Properties

Compound NameN-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine
PubChem CID116500457
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine
SMILESCOCCC(C)C(C)CCNC1CC1
InChIInChI=1S/C12H25NO/c1-10(11(2)7-9-14-3)6-8-13-12-4-5-12/h10-13H,4-9H2,1-3H3
InChIKeyKHXGWEKCMFFTFV-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine 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

1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-methylbutane-1,3-diamine
CID 62448035
1-N-cyclopropyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine
CID 55072403
1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
CID 62462661
N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine
CID 62440729
1-methoxy-4-[(4-propan-2-ylcyclohexyl)amino]butan-2-ol
CID 103876423
N-(3-chloro-4-methoxybutyl)cyclopentanamine
CID 106242445
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
1-(4-methoxybutan-2-yl)-N-propylpiperidin-4-amine
CID 64605073
1-(cyclopropylamino)-5-methoxy-2,3-dimethylpentan-2-ol
CID 116500216
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N-[2-(2-methoxyethyl)pentyl]cyclopropanamine
CID 62528132

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine?
The IUPAC name of N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine (CID 116500457) is N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine.
What is the SMILES notation for N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine?
The canonical SMILES for N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine is COCCC(C)C(C)CCNC1CC1.
What is the InChIKey of N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine?
The InChIKey is KHXGWEKCMFFTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(11(2)7-9-14-3)6-8-13-12-4-5-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine?
N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine is sourced from PubChem (CID 116500457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).