2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine

C13H28N2 — CID 43293397

IUPAC2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCCC1CCC(CN)C(N(C)C(C)C)C1
InChIInChI=1S/C13H28N2/c1-5-11-6-7-12(9-14)13(8-11)15(4)10(2)3/h10-13H,5-9,14H2,1-4H3
InChIKeyCSUUKJGHUTWGCO-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds4

About 2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine

2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 43293397) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID43293397
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCCC1CCC(CN)C(N(C)C(C)C)C1
InChIInChI=1S/C13H28N2/c1-5-11-6-7-12(9-14)13(8-11)15(4)10(2)3/h10-13H,5-9,14H2,1-4H3
InChIKeyCSUUKJGHUTWGCO-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Diethylamino)methyl]cyclohexan-1-amine
CID 23009041
2-[(Dimethylamino)methyl]cyclohexan-1-amine
CID 23009040
3-Butyl-1-cyclohexylpiperidin-4-amine
CID 11659120
Cambridge id 5458439
CID 2846443
trans-(1S,2S)-2-[(dimethylamino)methyl]cyclohexan-1-amine
CID 28605198
N',N'-bis(5-methyl-2-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 68621968
N-methyl-2-(methylaminomethyl)cyclohexan-1-amine
CID 323834
Isopropyl-(2-isopropyl-5-methylcyclohexyl)amine
CID 574419
2-(aminomethyl)-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 55006800
2-(aminomethyl)-N,5-diethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 55006846
2-(aminomethyl)-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 55006847
2-(aminomethyl)-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 55010959

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine (CID 43293397) is 2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine is CCC1CCC(CN)C(N(C)C(C)C)C1.
What is the InChIKey of 2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is CSUUKJGHUTWGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-11-6-7-12(9-14)13(8-11)15(4)10(2)3/h10-13H,5-9,14H2,1-4H3.
What are the key properties of 2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine?
2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 43293397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).