5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine

C14H31N — CID 82934817

IUPAC5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine
SMILESCCC(CC)CC(C)C(C)CNC(C)C
InChIInChI=1S/C14H31N/c1-7-14(8-2)9-12(5)13(6)10-15-11(3)4/h11-15H,7-10H2,1-6H3
InChIKeyRNBHBNLXEGOWDA-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.08
Rot. Bonds8

About 5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine

5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine (PubChem CID 82934817) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine.

Molecular Properties

Compound Name5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine
PubChem CID82934817
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine
SMILESCCC(CC)CC(C)C(C)CNC(C)C
InChIInChI=1S/C14H31N/c1-7-14(8-2)9-12(5)13(6)10-15-11(3)4/h11-15H,7-10H2,1-6H3
InChIKeyRNBHBNLXEGOWDA-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine?
The IUPAC name of 5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine (CID 82934817) is 5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine.
What is the SMILES notation for 5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine?
The canonical SMILES for 5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine is CCC(CC)CC(C)C(C)CNC(C)C.
What is the InChIKey of 5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine?
The InChIKey is RNBHBNLXEGOWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-7-14(8-2)9-12(5)13(6)10-15-11(3)4/h11-15H,7-10H2,1-6H3.
What are the key properties of 5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine?
5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethyl-N-propan-2-ylheptan-1-amine is sourced from PubChem (CID 82934817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).