1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine

C17H36N2 — CID 112682327

IUPAC1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine
SMILESCCC(C)CN(C)C1(CN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H36N2/c1-8-14(2)9-19(7)17(13-18)11-15(3,4)10-16(5,6)12-17/h14H,8-13,18H2,1-7H3
InChIKeyAYRAVCICQGYBKH-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.90
Rot. Bonds5

About 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine

1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine (PubChem CID 112682327) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine
PubChem CID112682327
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine
SMILESCCC(C)CN(C)C1(CN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H36N2/c1-8-14(2)9-19(7)17(13-18)11-15(3,4)10-16(5,6)12-17/h14H,8-13,18H2,1-7H3
InChIKeyAYRAVCICQGYBKH-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 112682322
1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 115999151
1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine
CID 112682313
1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine
CID 103562600
8-(aminomethyl)-N-methyl-N-(2-methylbutyl)spiro[4.5]decan-8-amine
CID 114818035
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)thiolan-3-amine
CID 43295596
1-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)cycloheptan-1-amine
CID 65084874
1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylbutyl)cyclopentan-1-amine
CID 79858006
4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine
CID 79477711
1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine
CID 80705971
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43271983
1-(aminomethyl)-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 62105853

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine (CID 112682327) is 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine is CCC(C)CN(C)C1(CN)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine?
The InChIKey is AYRAVCICQGYBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-8-14(2)9-19(7)17(13-18)11-15(3,4)10-16(5,6)12-17/h14H,8-13,18H2,1-7H3.
What are the key properties of 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine?
1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine has a molecular weight of 268.49 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 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 112682327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).