1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine

C14H28N2 — CID 79836655

IUPAC1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCN(C1CC1)C1(CN)CCCCC1(C)C
InChIInChI=1S/C14H28N2/c1-4-16(12-7-8-12)14(11-15)10-6-5-9-13(14,2)3/h12H,4-11,15H2,1-3H3
InChIKeyHSPORNIFLDFGGS-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds4

About 1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 79836655) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine
PubChem CID79836655
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCN(C1CC1)C1(CN)CCCCC1(C)C
InChIInChI=1S/C14H28N2/c1-4-16(12-7-8-12)14(11-15)10-6-5-9-13(14,2)3/h12H,4-11,15H2,1-3H3
InChIKeyHSPORNIFLDFGGS-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine (CID 79836655) is 1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine is CCN(C1CC1)C1(CN)CCCCC1(C)C.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is HSPORNIFLDFGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-16(12-7-8-12)14(11-15)10-6-5-9-13(14,2)3/h12H,4-11,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79836655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).