N-ethyl-4-methylcycloheptan-1-amine

C10H21N — CID 65081047

IUPACN-ethyl-4-methylcycloheptan-1-amine
SMILESCCNC1CCCC(C)CC1
InChIInChI=1S/C10H21N/c1-3-11-10-6-4-5-9(2)7-8-10/h9-11H,3-8H2,1-2H3
InChIKeyGWNAYWCXIPBCDM-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.56
Rot. Bonds2

About N-ethyl-4-methylcycloheptan-1-amine

N-ethyl-4-methylcycloheptan-1-amine (PubChem CID 65081047) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-ethyl-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methylcycloheptan-1-amine
PubChem CID65081047
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-ethyl-4-methylcycloheptan-1-amine
SMILESCCNC1CCCC(C)CC1
InChIInChI=1S/C10H21N/c1-3-11-10-6-4-5-9(2)7-8-10/h9-11H,3-8H2,1-2H3
InChIKeyGWNAYWCXIPBCDM-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylcycloheptan-1-amine?
The IUPAC name of N-ethyl-4-methylcycloheptan-1-amine (CID 65081047) is N-ethyl-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-ethyl-4-methylcycloheptan-1-amine?
The canonical SMILES for N-ethyl-4-methylcycloheptan-1-amine is CCNC1CCCC(C)CC1.
What is the InChIKey of N-ethyl-4-methylcycloheptan-1-amine?
The InChIKey is GWNAYWCXIPBCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-3-11-10-6-4-5-9(2)7-8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-ethyl-4-methylcycloheptan-1-amine?
N-ethyl-4-methylcycloheptan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65081047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).