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

C17H36N2 — CID 63465758

IUPAC1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)C(C)CC(C)C)CC1
InChIInChI=1S/C17H36N2/c1-6-7-16-8-10-17(13-18,11-9-16)19(5)15(4)12-14(2)3/h14-16H,6-13,18H2,1-5H3
InChIKeyJLQCWRZNBXBUPQ-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.04
Rot. Bonds7

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

1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine (PubChem CID 63465758) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine
PubChem CID63465758
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)C(C)CC(C)C)CC1
InChIInChI=1S/C17H36N2/c1-6-7-16-8-10-17(13-18,11-9-16)19(5)15(4)12-14(2)3/h14-16H,6-13,18H2,1-5H3
InChIKeyJLQCWRZNBXBUPQ-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine
CID 63470399
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine
CID 54947055
1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)cyclopropan-1-amine
CID 106661145
1-(aminomethyl)-N-ethyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine
CID 63471543
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 55001386
1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62861295
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 63631397
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine
CID 79476914
3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(4-methylpentan-2-yl)pyrrolidin-3-amine
CID 62977877
1-(aminomethyl)-N-cyclohexyl-N-methyl-4-propylcycloheptan-1-amine
CID 65091681
1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-4-propylcycloheptan-1-amine
CID 65088706
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine
CID 79477400

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine (CID 63465758) is 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(CN)(N(C)C(C)CC(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine?
The InChIKey is JLQCWRZNBXBUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-7-16-8-10-17(13-18,11-9-16)19(5)15(4)12-14(2)3/h14-16H,6-13,18H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63465758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).