1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine

C19H32N2 — CID 65286543

IUPAC1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CCCC(C)(C)CC2)c(C)c1
InChIInChI=1S/C19H32N2/c1-5-17(20)14-16-7-8-18(15(2)13-16)21-11-6-9-19(3,4)10-12-21/h7-8,13,17H,5-6,9-12,14,20H2,1-4H3
InChIKeyFODHQCHTBLFLDQ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.29
Rot. Bonds4

About 1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine

1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine (PubChem CID 65286543) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine
PubChem CID65286543
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CCCC(C)(C)CC2)c(C)c1
InChIInChI=1S/C19H32N2/c1-5-17(20)14-16-7-8-18(15(2)13-16)21-11-6-9-19(3,4)10-12-21/h7-8,13,17H,5-6,9-12,14,20H2,1-4H3
InChIKeyFODHQCHTBLFLDQ-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-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

1-[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793608
1-[2-(4,4-dimethylazepan-1-yl)phenyl]butan-2-amine
CID 65286445
1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]butan-2-amine
CID 63785497
1-[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methylphenyl]butan-2-amine
CID 65322123
1-[4-(bromomethyl)-2-methylphenyl]-4,4-dimethylpiperidine
CID 107082938
1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine
CID 63794169
1-[3-methyl-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 83045785
1-[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-methylphenyl]propan-2-amine
CID 107459824
N-[[4-(4,4-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62932457
1-[3-fluoro-4-(4-methylazepan-1-yl)phenyl]butan-2-amine
CID 63795206
1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
CID 63795228
1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine
CID 63794705

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine (CID 65286543) is 1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine is CCC(N)Cc1ccc(N2CCCC(C)(C)CC2)c(C)c1.
What is the InChIKey of 1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine?
The InChIKey is FODHQCHTBLFLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-17(20)14-16-7-8-18(15(2)13-16)21-11-6-9-19(3,4)10-12-21/h7-8,13,17H,5-6,9-12,14,20H2,1-4H3.
What are the key properties of 1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine?
1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine is sourced from PubChem (CID 65286543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).