1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine

C14H30N2 — CID 112682313

IUPAC1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine
SMILESCCN(C)C1(CN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H30N2/c1-7-16(6)14(11-15)9-12(2,3)8-13(4,5)10-14/h7-11,15H2,1-6H3
InChIKeyKOYFXNYEEGEBRB-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds3

About 1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine (PubChem CID 112682313) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine
PubChem CID112682313
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine
SMILESCCN(C)C1(CN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H30N2/c1-7-16(6)14(11-15)9-12(2,3)8-13(4,5)10-14/h7-11,15H2,1-6H3
InChIKeyKOYFXNYEEGEBRB-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
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,3,3,5,5-pentamethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 112682327
1-(aminomethyl)-N-butyl-N-ethyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682311
1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 115999151
1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
CID 115999031
3-(aminomethyl)-N,5,5-trimethyl-N-propylthian-3-amine
CID 79958584
N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 80705611
1-(aminomethyl)-3-ethoxy-N-ethyl-N-methylcyclobutan-1-amine
CID 106821743
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115999043
1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine
CID 80705971
1-(aminomethyl)-N-butyl-N-methylcyclopropan-1-amine
CID 106661013
1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine
CID 63878729

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine (CID 112682313) is 1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine is CCN(C)C1(CN)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine?
The InChIKey is KOYFXNYEEGEBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-7-16(6)14(11-15)9-12(2,3)8-13(4,5)10-14/h7-11,15H2,1-6H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N,3,3,5,5-pentamethylcyclohexan-1-amine is sourced from PubChem (CID 112682313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).