N-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine

C14H27N — CID 66037123

IUPACN-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine
SMILESC=C(CC)CC1CCCCCC1NCC
InChIInChI=1S/C14H27N/c1-4-12(3)11-13-9-7-6-8-10-14(13)15-5-2/h13-15H,3-11H2,1-2H3
InChIKeyHURYHUNKJFOFGS-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.90
Rot. Bonds5

About N-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine

N-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine (PubChem CID 66037123) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine
PubChem CID66037123
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine
SMILESC=C(CC)CC1CCCCCC1NCC
InChIInChI=1S/C14H27N/c1-4-12(3)11-13-9-7-6-8-10-14(13)15-5-2/h13-15H,3-11H2,1-2H3
InChIKeyHURYHUNKJFOFGS-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine (CID 66037123) is N-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine is C=C(CC)CC1CCCCCC1NCC.
What is the InChIKey of N-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine?
The InChIKey is HURYHUNKJFOFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-12(3)11-13-9-7-6-8-10-14(13)15-5-2/h13-15H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine?
N-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylidenebutyl)cycloheptan-1-amine is sourced from PubChem (CID 66037123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).