N-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine

C15H30N2 — CID 81005490

IUPACN-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine
SMILESCCCC1CCCN(C2CCC2CNC)CC1
InChIInChI=1S/C15H30N2/c1-3-5-13-6-4-10-17(11-9-13)15-8-7-14(15)12-16-2/h13-16H,3-12H2,1-2H3
InChIKeyXRMWKEPINWWBGT-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds5

About N-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine

N-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine (PubChem CID 81005490) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine
PubChem CID81005490
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine
SMILESCCCC1CCCN(C2CCC2CNC)CC1
InChIInChI=1S/C15H30N2/c1-3-5-13-6-4-10-17(11-9-13)15-8-7-14(15)12-16-2/h13-16H,3-12H2,1-2H3
InChIKeyXRMWKEPINWWBGT-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-N-methylmethanamine
CID 129375491
N-[[2-(4-ethylazepan-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 81004792
1-[2-(4-tert-butylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine
CID 80999730
1-[2-(4,4-dimethylpiperidin-1-yl)cyclobutyl]-N-methylmethanamine
CID 80999261
1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine
CID 80999736
1-(4-methylpiperidin-3-yl)-4-propylazepane
CID 66273079
N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80998879
N-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 65091204
2,2-dimethyl-6-(4-propylazepan-1-yl)cyclohexan-1-amine
CID 79828874
N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81000103
N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 79828781
4-propyl-2-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 63468765

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine (CID 81005490) is N-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine is CCCC1CCCN(C2CCC2CNC)CC1.
What is the InChIKey of N-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine?
The InChIKey is XRMWKEPINWWBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-5-13-6-4-10-17(11-9-13)15-8-7-14(15)12-16-2/h13-16H,3-12H2,1-2H3.
What are the key properties of N-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine?
N-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-propylazepan-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 81005490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).