1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine

C16H34N2O — CID 81059715

IUPAC1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
SMILESCC1CC(C)(C)CC(CN)(N(C)CCOC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-13(2)19-8-7-18(6)16(12-17)10-14(3)9-15(4,5)11-16/h13-14H,7-12,17H2,1-6H3
InChIKeyMGPSIVJVWTXQSR-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.89
Rot. Bonds6

About 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine

1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine (PubChem CID 81059715) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
PubChem CID81059715
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
SMILESCC1CC(C)(C)CC(CN)(N(C)CCOC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-13(2)19-8-7-18(6)16(12-17)10-14(3)9-15(4,5)11-16/h13-14H,7-12,17H2,1-6H3
InChIKeyMGPSIVJVWTXQSR-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine
CID 63878729
1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine
CID 81059110
1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine
CID 43571901
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 61448592
4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine
CID 81059213
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562700
1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine
CID 63471586
1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine
CID 63470621
1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine
CID 103562600
1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine
CID 81059702
3-(aminomethyl)-N,2-dimethyl-N-(2-propan-2-yloxyethyl)thian-3-amine
CID 81059407
1-carbamothioyl-N,3-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutane-1-carboxamide
CID 81056700

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine (CID 81059715) is 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine is CC1CC(C)(C)CC(CN)(N(C)CCOC(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
The InChIKey is MGPSIVJVWTXQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)19-8-7-18(6)16(12-17)10-14(3)9-15(4,5)11-16/h13-14H,7-12,17H2,1-6H3.
What are the key properties of 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 81059715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).