N-[(1-methylcyclobutyl)methyl]hexan-2-amine

C12H25N — CID 103903182

IUPACN-[(1-methylcyclobutyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCC1(C)CCC1
InChIInChI=1S/C12H25N/c1-4-5-7-11(2)13-10-12(3)8-6-9-12/h11,13H,4-10H2,1-3H3
InChIKeyMLXPRKPIPZWYAV-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.34
Rot. Bonds6

About N-[(1-methylcyclobutyl)methyl]hexan-2-amine

N-[(1-methylcyclobutyl)methyl]hexan-2-amine (PubChem CID 103903182) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]hexan-2-amine
PubChem CID103903182
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-[(1-methylcyclobutyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCC1(C)CCC1
InChIInChI=1S/C12H25N/c1-4-5-7-11(2)13-10-12(3)8-6-9-12/h11,13H,4-10H2,1-3H3
InChIKeyMLXPRKPIPZWYAV-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1-methylcyclobutyl)methyl]hexan-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

N-[(3-methylpiperidin-3-yl)methyl]heptan-2-amine
CID 63133078
N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine
CID 107163173
1-[(hexan-2-ylamino)methyl]cyclopentan-1-amine
CID 62199878
1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105584
1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine
CID 62200817
1-[(nonan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105272
2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine
CID 106827234
4-[(hexan-2-ylamino)methyl]thian-4-ol
CID 115722101
1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine
CID 115892752
N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine
CID 139447352
1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine
CID 103903509
N-[(4-methylsulfanyloxan-4-yl)methyl]hexan-2-amine
CID 115892010

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]hexan-2-amine?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]hexan-2-amine (CID 103903182) is N-[(1-methylcyclobutyl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]hexan-2-amine?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]hexan-2-amine is CCCCC(C)NCC1(C)CCC1.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]hexan-2-amine?
The InChIKey is MLXPRKPIPZWYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-5-7-11(2)13-10-12(3)8-6-9-12/h11,13H,4-10H2,1-3H3.
What are the key properties of N-[(1-methylcyclobutyl)methyl]hexan-2-amine?
N-[(1-methylcyclobutyl)methyl]hexan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]hexan-2-amine is sourced from PubChem (CID 103903182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).