2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine

C17H34N2 — CID 62610841

IUPAC2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCCCN(CC1CC(CC)CCC1NC)C1CC1
InChIInChI=1S/C17H34N2/c1-4-6-11-19(16-8-9-16)13-15-12-14(5-2)7-10-17(15)18-3/h14-18H,4-13H2,1-3H3
InChIKeyFGTMPXOCEMIGPQ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds8

About 2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine

2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 62610841) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID62610841
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCCCN(CC1CC(CC)CCC1NC)C1CC1
InChIInChI=1S/C17H34N2/c1-4-6-11-19(16-8-9-16)13-15-12-14(5-2)7-10-17(15)18-3/h14-18H,4-13H2,1-3H3
InChIKeyFGTMPXOCEMIGPQ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine (CID 62610841) is 2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine is CCCCN(CC1CC(CC)CCC1NC)C1CC1.
What is the InChIKey of 2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is FGTMPXOCEMIGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-6-11-19(16-8-9-16)13-15-12-14(5-2)7-10-17(15)18-3/h14-18H,4-13H2,1-3H3.
What are the key properties of 2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine?
2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 62610841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).