2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine

C17H36N2 — CID 63404191

IUPAC2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)C(N(C)C(C)CC(C)C)C1
InChIInChI=1S/C17H36N2/c1-6-7-15-8-9-16(12-18)17(11-15)19(5)14(4)10-13(2)3/h13-17H,6-12,18H2,1-5H3
InChIKeyNHWTYCZIOOAUEV-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.90
Rot. Bonds7

About 2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine

2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine (PubChem CID 63404191) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine
PubChem CID63404191
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)C(N(C)C(C)CC(C)C)C1
InChIInChI=1S/C17H36N2/c1-6-7-15-8-9-16(12-18)17(11-15)19(5)14(4)10-13(2)3/h13-17H,6-12,18H2,1-5H3
InChIKeyNHWTYCZIOOAUEV-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine
CID 114284991
[2-(2,4-dimethylpentyl)-4-propylcyclohexyl]methanamine
CID 114201490
2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293397
2-(aminomethyl)-5-ethyl-N-methyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 43569707
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
2-[[2-(aminomethyl)-5-propylcyclohexyl]-propylamino]ethanol
CID 61424771
N-[2-(aminomethyl)-5-propylcyclohexyl]-N-methylthiolan-3-amine
CID 43530795
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine
CID 61431166
[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81328958
N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline
CID 63404368
(3-propylcyclopentyl)methanamine
CID 83635339

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine (CID 63404191) is 2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine is CCCC1CCC(CN)C(N(C)C(C)CC(C)C)C1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine?
The InChIKey is NHWTYCZIOOAUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-7-15-8-9-16(12-18)17(11-15)19(5)14(4)10-13(2)3/h13-17H,6-12,18H2,1-5H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine?
2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-5-propylcyclohexan-1-amine is sourced from PubChem (CID 63404191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).