N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine

C18H30N2 — CID 62413896

IUPACN-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine
SMILESCCc1ccccc1C(CN)N(C)C1CCCCCC1
InChIInChI=1S/C18H30N2/c1-3-15-10-8-9-13-17(15)18(14-19)20(2)16-11-6-4-5-7-12-16/h8-10,13,16,18H,3-7,11-12,14,19H2,1-2H3
InChIKeyCBULXADYQJBMNI-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.90
Rot. Bonds5

About N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine

N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine (PubChem CID 62413896) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine
PubChem CID62413896
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine
SMILESCCc1ccccc1C(CN)N(C)C1CCCCCC1
InChIInChI=1S/C18H30N2/c1-3-15-10-8-9-13-17(15)18(14-19)20(2)16-11-6-4-5-7-12-16/h8-10,13,16,18H,3-7,11-12,14,19H2,1-2H3
InChIKeyCBULXADYQJBMNI-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
CID 43180386
N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine
CID 79983610
N-cyclohexyl-N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 43079199
N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43266992
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
2-[1-[cyclohexyl(methyl)amino]propyl]phenol
CID 82974252
N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 43613899
N-cycloheptyl-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 115989859
1-(2-ethylphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206559
1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 62390733
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 62390906

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine (CID 62413896) is N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine is CCc1ccccc1C(CN)N(C)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is CBULXADYQJBMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-15-10-8-9-13-17(15)18(14-19)20(2)16-11-6-4-5-7-12-16/h8-10,13,16,18H,3-7,11-12,14,19H2,1-2H3.
What are the key properties of N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine?
N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 62413896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).