N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine

C17H34N2 — CID 79566044

IUPACN-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine
SMILESCNC1CCCC1CCN1CCCC(C(C)C)CC1
InChIInChI=1S/C17H34N2/c1-14(2)15-7-5-11-19(12-9-15)13-10-16-6-4-8-17(16)18-3/h14-18H,4-13H2,1-3H3
InChIKeyOHBZNMKRTOINNQ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds5

About N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine

N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine (PubChem CID 79566044) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine
PubChem CID79566044
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine
SMILESCNC1CCCC1CCN1CCCC(C(C)C)CC1
InChIInChI=1S/C17H34N2/c1-14(2)15-7-5-11-19(12-9-15)13-10-16-6-4-8-17(16)18-3/h14-18H,4-13H2,1-3H3
InChIKeyOHBZNMKRTOINNQ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine (CID 79566044) is N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine is CNC1CCCC1CCN1CCCC(C(C)C)CC1.
What is the InChIKey of N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine?
The InChIKey is OHBZNMKRTOINNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-14(2)15-7-5-11-19(12-9-15)13-10-16-6-4-8-17(16)18-3/h14-18H,4-13H2,1-3H3.
What are the key properties of N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine?
N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(4-propan-2-ylazepan-1-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79566044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).