N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine

C19H32N2 — CID 65286612

IUPACN-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN2CCCC(C)(C)CC2)cc1
InChIInChI=1S/C19H32N2/c1-16(2)20-14-17-6-8-18(9-7-17)15-21-12-5-10-19(3,4)11-13-21/h6-9,16,20H,5,10-15H2,1-4H3
InChIKeyMEJMURPMKLGPKC-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.20
Rot. Bonds5

About N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine

N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine (PubChem CID 65286612) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine
PubChem CID65286612
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN2CCCC(C)(C)CC2)cc1
InChIInChI=1S/C19H32N2/c1-16(2)20-14-17-6-8-18(9-7-17)15-21-12-5-10-19(3,4)11-13-21/h6-9,16,20H,5,10-15H2,1-4H3
InChIKeyMEJMURPMKLGPKC-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-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-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62930308
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine
CID 62433546
N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen
CID 155740671
N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 155707430
1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 58266760
4-[(4,4-dimethylazepan-1-yl)methyl]-2-fluoroaniline
CID 65282779
N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 63159888
2-amino-4-[(4,4-dimethylazepan-1-yl)methyl]phenol
CID 65283266
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 105346654
1-[(3-bromo-4-methoxyphenyl)methyl]-4,4-dimethylazepane
CID 65282649

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine (CID 65286612) is N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(CN2CCCC(C)(C)CC2)cc1.
What is the InChIKey of N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is MEJMURPMKLGPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-16(2)20-14-17-6-8-18(9-7-17)15-21-12-5-10-19(3,4)11-13-21/h6-9,16,20H,5,10-15H2,1-4H3.
What are the key properties of N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine?
N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 65286612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).