N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine

C17H34N2 — CID 104692037

IUPACN-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1CN1CCCCCC1CC
InChIInChI=1S/C17H34N2/c1-3-16-11-6-5-9-13-19(16)14-15-10-7-8-12-17(15)18-4-2/h15-18H,3-14H2,1-2H3
InChIKeyPWLGTRIZGCVYLV-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds5

About N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine

N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine (PubChem CID 104692037) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine
PubChem CID104692037
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1CN1CCCCCC1CC
InChIInChI=1S/C17H34N2/c1-3-16-11-6-5-9-13-19(16)14-15-10-7-8-12-17(15)18-4-2/h15-18H,3-14H2,1-2H3
InChIKeyPWLGTRIZGCVYLV-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine (CID 104692037) is N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine is CCNC1CCCCC1CN1CCCCCC1CC.
What is the InChIKey of N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is PWLGTRIZGCVYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-16-11-6-5-9-13-19(16)14-15-10-7-8-12-17(15)18-4-2/h15-18H,3-14H2,1-2H3.
What are the key properties of N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine?
N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 104692037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).