2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine

C19H32N2 — CID 79051839

IUPAC2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C19H32N2/c1-4-14-20-18(17-12-8-7-9-13-17)19(2,3)21-15-10-5-6-11-16-21/h7-9,12-13,18,20H,4-6,10-11,14-16H2,1-3H3
InChIKeyPDSFTWZRICHPJK-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.38
Rot. Bonds6

About 2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine

2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine (PubChem CID 79051839) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
PubChem CID79051839
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C19H32N2/c1-4-14-20-18(17-12-8-7-9-13-17)19(2,3)21-15-10-5-6-11-16-21/h7-9,12-13,18,20H,4-6,10-11,14-16H2,1-3H3
InChIKeyPDSFTWZRICHPJK-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051291
2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79052153
2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine
CID 79045060
2,2-dimethyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 63195842
3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79045291
1-(2,3-dimethylphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051428
N-ethyl-2-methyl-1-(4-methylphenyl)-2-piperidin-1-ylpropan-1-amine
CID 79045339
1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 106653570
N-ethyl-2-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056899
N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 116544657
1-(2,5-difluorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051292
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 102647694

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine (CID 79051839) is 2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine is CCCNC(c1ccccc1)C(C)(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
The InChIKey is PDSFTWZRICHPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-14-20-18(17-12-8-7-9-13-17)19(2,3)21-15-10-5-6-11-16-21/h7-9,12-13,18,20H,4-6,10-11,14-16H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 79051839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).