N-ethyl-3-methylheptan-3-amine

C10H23N — CID 567938

IUPACN-ethyl-3-methylheptan-3-amine
SMILESCCCCC(C)(CC)NCC
InChIInChI=1S/C10H23N/c1-5-8-9-10(4,6-2)11-7-3/h11H,5-9H2,1-4H3
InChIKeySLSQLWOXEGJEAZ-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.95
Rot. Bonds6

About N-ethyl-3-methylheptan-3-amine

N-ethyl-3-methylheptan-3-amine (PubChem CID 567938) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is N-ethyl-3-methylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-3-methylheptan-3-amine
PubChem CID567938
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC NameN-ethyl-3-methylheptan-3-amine
SMILESCCCCC(C)(CC)NCC
InChIInChI=1S/C10H23N/c1-5-8-9-10(4,6-2)11-7-3/h11H,5-9H2,1-4H3
InChIKeySLSQLWOXEGJEAZ-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylheptan-3-amine?
The IUPAC name of N-ethyl-3-methylheptan-3-amine (CID 567938) is N-ethyl-3-methylheptan-3-amine.
What is the SMILES notation for N-ethyl-3-methylheptan-3-amine?
The canonical SMILES for N-ethyl-3-methylheptan-3-amine is CCCCC(C)(CC)NCC.
What is the InChIKey of N-ethyl-3-methylheptan-3-amine?
The InChIKey is SLSQLWOXEGJEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-5-8-9-10(4,6-2)11-7-3/h11H,5-9H2,1-4H3.
What are the key properties of N-ethyl-3-methylheptan-3-amine?
N-ethyl-3-methylheptan-3-amine has a molecular weight of 157.30 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylheptan-3-amine is sourced from PubChem (CID 567938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).