N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine

C16H34N2 — CID 64735427

IUPACN,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine
SMILESCCCN(CC1C(C)CC(C)CC1NC)C(C)C
InChIInChI=1S/C16H34N2/c1-7-8-18(12(2)3)11-15-14(5)9-13(4)10-16(15)17-6/h12-17H,7-11H2,1-6H3
InChIKeyIFYJLLQANFHARN-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds6

About N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine

N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine (PubChem CID 64735427) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine
PubChem CID64735427
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine
SMILESCCCN(CC1C(C)CC(C)CC1NC)C(C)C
InChIInChI=1S/C16H34N2/c1-7-8-18(12(2)3)11-15-14(5)9-13(4)10-16(15)17-6/h12-17H,7-11H2,1-6H3
InChIKeyIFYJLLQANFHARN-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191408
N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 64734674
2-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 64736620
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64736237
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734671
1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724829
2-N-ethyl-1-N,3,5-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724640
N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine
CID 66247746
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 82952445
N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-N-ethyl-2-fluoroaniline
CID 64735056
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64737435
2-[[ethyl(methyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736412

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine (CID 64735427) is N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine is CCCN(CC1C(C)CC(C)CC1NC)C(C)C.
What is the InChIKey of N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is IFYJLLQANFHARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-8-18(12(2)3)11-15-14(5)9-13(4)10-16(15)17-6/h12-17H,7-11H2,1-6H3.
What are the key properties of N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine?
N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 64735427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).