1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine

C19H32N2 — CID 65485884

IUPAC1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine
SMILESCCCNC1CCCCCC1N(C)CCc1ccccc1
InChIInChI=1S/C19H32N2/c1-3-15-20-18-12-8-5-9-13-19(18)21(2)16-14-17-10-6-4-7-11-17/h4,6-7,10-11,18-20H,3,5,8-9,12-16H2,1-2H3
InChIKeyWSIIBXKUSGGCON-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.86
Rot. Bonds7

About 1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine

1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine (PubChem CID 65485884) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine
PubChem CID65485884
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine
SMILESCCCNC1CCCCCC1N(C)CCc1ccccc1
InChIInChI=1S/C19H32N2/c1-3-15-20-18-12-8-5-9-13-19(18)21(2)16-14-17-10-6-4-7-11-17/h4,6-7,10-11,18-20H,3,5,8-9,12-16H2,1-2H3
InChIKeyWSIIBXKUSGGCON-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine
CID 65488170
2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine
CID 63466024
trans-(1R,2R)-1-N,2-N-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 96587905
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 55228107
1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine
CID 62985177
2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine
CID 63207322
1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine
CID 63695200
2-N-benzyl-1-N,1-N-dimethylcycloheptane-1,2-diamine;dihydrochloride
CID 23349763
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine
CID 79313962
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
trans-(1R,2R)-1-N-benzyl-2-N,2-N-diethylcyclohexane-1,2-diamine
CID 101206907
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine (CID 65485884) is 1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine is CCCNC1CCCCCC1N(C)CCc1ccccc1.
What is the InChIKey of 1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine?
The InChIKey is WSIIBXKUSGGCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-15-20-18-12-8-5-9-13-19(18)21(2)16-14-17-10-6-4-7-11-17/h4,6-7,10-11,18-20H,3,5,8-9,12-16H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine?
1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine is sourced from PubChem (CID 65485884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).