3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine

C19H32N2 — CID 65282057

IUPAC3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
SMILESCNCC(C)(CN1CCCC(C)(C)CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-18(2)11-8-13-21(14-12-18)16-19(3,15-20-4)17-9-6-5-7-10-17/h5-7,9-10,20H,8,11-16H2,1-4H3
InChIKeyAVKKEPPGEKRCQO-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.68
Rot. Bonds5

About 3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine

3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine (PubChem CID 65282057) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
PubChem CID65282057
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
SMILESCNCC(C)(CN1CCCC(C)(C)CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-18(2)11-8-13-21(14-12-18)16-19(3,15-20-4)17-9-6-5-7-10-17/h5-7,9-10,20H,8,11-16H2,1-4H3
InChIKeyAVKKEPPGEKRCQO-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-2-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 55056359
N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine
CID 62257862
N,2-dimethyl-2-phenyl-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62257926
1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 62931095
2-methyl-2-phenyl-N-propan-2-yl-3-pyrrolidin-1-ylpropan-1-amine
CID 62262976
3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine
CID 62262873
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 65324595
N,2-dimethyl-3-(2-methylmorpholin-4-yl)-2-phenylpropan-1-amine
CID 55051514
2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 65281633
3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 63619903
1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62261469
N-ethyl-2-methyl-2-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62271130

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine (CID 65282057) is 3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine is CNCC(C)(CN1CCCC(C)(C)CC1)c1ccccc1.
What is the InChIKey of 3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine?
The InChIKey is AVKKEPPGEKRCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-18(2)11-8-13-21(14-12-18)16-19(3,15-20-4)17-9-6-5-7-10-17/h5-7,9-10,20H,8,11-16H2,1-4H3.
What are the key properties of 3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine?
3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylazepan-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine is sourced from PubChem (CID 65282057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).