(3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine

C14H27N — CID 126592729

IUPAC(3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine
SMILES[H]/N=C/C(=C)[C@H](C)C(CC)[C@@H](C)CCCC
InChIInChI=1S/C14H27N/c1-6-8-9-11(3)14(7-2)13(5)12(4)10-15/h10-11,13-15H,4,6-9H2,1-3,5H3/b15-10+/t11-,13-,14?/m0/s1
InChIKeyASGQXDNMDGCSOI-VHJZQWEDSA-N
MW209.38 g/mol
LogP4.68
Rot. Bonds8

About (3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine

(3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine (PubChem CID 126592729) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine.

Molecular Properties

Compound Name(3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine
PubChem CID126592729
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine
SMILES[H]/N=C/C(=C)[C@H](C)C(CC)[C@@H](C)CCCC
InChIInChI=1S/C14H27N/c1-6-8-9-11(3)14(7-2)13(5)12(4)10-15/h10-11,13-15H,4,6-9H2,1-3,5H3/b15-10+/t11-,13-,14?/m0/s1
InChIKeyASGQXDNMDGCSOI-VHJZQWEDSA-N
XLogP4.68
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine?
The IUPAC name of (3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine (CID 126592729) is (3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine.
What is the SMILES notation for (3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine?
The canonical SMILES for (3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine is [H]/N=C/C(=C)[C@H](C)C(CC)[C@@H](C)CCCC.
What is the InChIKey of (3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine?
The InChIKey is ASGQXDNMDGCSOI-VHJZQWEDSA-N. The full InChI is InChI=1S/C14H27N/c1-6-8-9-11(3)14(7-2)13(5)12(4)10-15/h10-11,13-15H,4,6-9H2,1-3,5H3/b15-10+/t11-,13-,14?/m0/s1.
What are the key properties of (3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine?
(3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine has a molecular weight of 209.38 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine is sourced from PubChem (CID 126592729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).