2-ethyl-3-methylcycloheptan-1-amine

C10H21N — CID 139376160

IUPAC2-ethyl-3-methylcycloheptan-1-amine
SMILESCCC1C(C)CCCCC1N
InChIInChI=1S/C10H21N/c1-3-9-8(2)6-4-5-7-10(9)11/h8-10H,3-7,11H2,1-2H3
InChIKeyHXERFRPEVYTFPP-UHFFFAOYSA-N
MW155.29 g/mol
LogP2.55
Rot. Bonds1

About 2-ethyl-3-methylcycloheptan-1-amine

2-ethyl-3-methylcycloheptan-1-amine (PubChem CID 139376160) has the molecular formula C10H21N and a molecular weight of 155.29 g/mol. Its IUPAC name is 2-ethyl-3-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-methylcycloheptan-1-amine
PubChem CID139376160
Molecular FormulaC10H21N
Molecular Weight155.29 g/mol
Exact Mass155.17
IUPAC Name2-ethyl-3-methylcycloheptan-1-amine
SMILESCCC1C(C)CCCCC1N
InChIInChI=1S/C10H21N/c1-3-9-8(2)6-4-5-7-10(9)11/h8-10H,3-7,11H2,1-2H3
InChIKeyHXERFRPEVYTFPP-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylcycloheptan-1-amine?
The IUPAC name of 2-ethyl-3-methylcycloheptan-1-amine (CID 139376160) is 2-ethyl-3-methylcycloheptan-1-amine.
What is the SMILES notation for 2-ethyl-3-methylcycloheptan-1-amine?
The canonical SMILES for 2-ethyl-3-methylcycloheptan-1-amine is CCC1C(C)CCCCC1N.
What is the InChIKey of 2-ethyl-3-methylcycloheptan-1-amine?
The InChIKey is HXERFRPEVYTFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-3-9-8(2)6-4-5-7-10(9)11/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 2-ethyl-3-methylcycloheptan-1-amine?
2-ethyl-3-methylcycloheptan-1-amine has a molecular weight of 155.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylcycloheptan-1-amine is sourced from PubChem (CID 139376160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).