7-ethyl-N,8-dimethylnonan-2-amine

C13H28N- — CID 91399919

IUPAC7-ethyl-N,8-dimethylnonan-2-amine
SMILES[CH2-]C(CCCCC(CC)C(C)C)NC
InChIInChI=1S/C13H28N/c1-6-13(11(2)3)10-8-7-9-12(4)14-5/h11-14H,4,6-10H2,1-3,5H3/q-1
InChIKeyMJTJTUXCQSCDJE-UHFFFAOYSA-N
MW198.37 g/mol
LogP3.65
Rot. Bonds8

About 7-ethyl-N,8-dimethylnonan-2-amine

7-ethyl-N,8-dimethylnonan-2-amine (PubChem CID 91399919) has the molecular formula C13H28N- and a molecular weight of 198.37 g/mol. Its IUPAC name is 7-ethyl-N,8-dimethylnonan-2-amine.

Molecular Properties

Compound Name7-ethyl-N,8-dimethylnonan-2-amine
PubChem CID91399919
Molecular FormulaC13H28N-
Molecular Weight198.37 g/mol
Exact Mass198.22
IUPAC Name7-ethyl-N,8-dimethylnonan-2-amine
SMILES[CH2-]C(CCCCC(CC)C(C)C)NC
InChIInChI=1S/C13H28N/c1-6-13(11(2)3)10-8-7-9-12(4)14-5/h11-14H,4,6-10H2,1-3,5H3/q-1
InChIKeyMJTJTUXCQSCDJE-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 91536277
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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N,8-dimethylnonan-2-amine?
The IUPAC name of 7-ethyl-N,8-dimethylnonan-2-amine (CID 91399919) is 7-ethyl-N,8-dimethylnonan-2-amine.
What is the SMILES notation for 7-ethyl-N,8-dimethylnonan-2-amine?
The canonical SMILES for 7-ethyl-N,8-dimethylnonan-2-amine is [CH2-]C(CCCCC(CC)C(C)C)NC.
What is the InChIKey of 7-ethyl-N,8-dimethylnonan-2-amine?
The InChIKey is MJTJTUXCQSCDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N/c1-6-13(11(2)3)10-8-7-9-12(4)14-5/h11-14H,4,6-10H2,1-3,5H3/q-1.
What are the key properties of 7-ethyl-N,8-dimethylnonan-2-amine?
7-ethyl-N,8-dimethylnonan-2-amine has a molecular weight of 198.37 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N,8-dimethylnonan-2-amine is sourced from PubChem (CID 91399919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).