7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine

C22H45N — CID 126554886

IUPAC7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine
SMILESCCCC(CNC)CC(C)C(C)C(C)CC1CCC(CC)CC1
InChIInChI=1S/C22H45N/c1-7-9-22(16-23-6)15-18(4)19(5)17(3)14-21-12-10-20(8-2)11-13-21/h17-23H,7-16H2,1-6H3
InChIKeyJXCKYGCQDPLWJK-UHFFFAOYSA-N
MW323.61 g/mol
LogP6.53
Rot. Bonds11

About 7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine

7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine (PubChem CID 126554886) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is 7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine.

Molecular Properties

Compound Name7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine
PubChem CID126554886
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC Name7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine
SMILESCCCC(CNC)CC(C)C(C)C(C)CC1CCC(CC)CC1
InChIInChI=1S/C22H45N/c1-7-9-22(16-23-6)15-18(4)19(5)17(3)14-21-12-10-20(8-2)11-13-21/h17-23H,7-16H2,1-6H3
InChIKeyJXCKYGCQDPLWJK-UHFFFAOYSA-N
XLogP6.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-Cyclohexylethyl)(methyl)amine
CID 43930
(5-Cyclohexyl-pentyl)-methyl-amine
CID 18790250
(Cyclohexylmethyl)(methyl)amine
CID 117276
Isononanamine, N-isononyl-
CID 168808
Haliclorensin C
CID 45379848
Isotridecanamine, N-isotridecyl-
CID 92691
Cyclexedrine hydrochloride
CID 115662
N'-[3-[4-[3-(3-aminopropylamino)propyl]cyclohexyl]propyl]propane-1,3-diamine
CID 44317560
Cyclexedrine
CID 115663
1,4-Cyclohexanebis(methylamine), N,N'-bis(3,7-dimethyloctyl)-, dihydrochloride
CID 115673
[(4-Ethylcyclohexyl)methyl](methyl)amine
CID 20712110
2-(propan-2-yl)-N-[2-(propan-2-yl)cyclohexyl]cyclohexan-1-amine
CID 50986555

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine?
The IUPAC name of 7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine (CID 126554886) is 7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine.
What is the SMILES notation for 7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine?
The canonical SMILES for 7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine is CCCC(CNC)CC(C)C(C)C(C)CC1CCC(CC)CC1.
What is the InChIKey of 7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine?
The InChIKey is JXCKYGCQDPLWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N/c1-7-9-22(16-23-6)15-18(4)19(5)17(3)14-21-12-10-20(8-2)11-13-21/h17-23H,7-16H2,1-6H3.
What are the key properties of 7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine?
7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine has a molecular weight of 323.61 g/mol, XLogP of 6.53, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylcyclohexyl)-N,4,5,6-tetramethyl-2-propylheptan-1-amine is sourced from PubChem (CID 126554886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).