(7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine

C13H27N — CID 88936923

IUPAC(7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine
SMILESC=C(CCCN)CC[C@@H](C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-11(7-6-10-14)8-9-12(2)13(3,4)5/h12H,1,6-10,14H2,2-5H3/t12-/m1/s1
InChIKeyHNYSLSBKSTWNMY-GFCCVEGCSA-N
MW197.37 g/mol
LogP3.74
Rot. Bonds6

About (7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine

(7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine (PubChem CID 88936923) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine.

Molecular Properties

Compound Name(7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine
PubChem CID88936923
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine
SMILESC=C(CCCN)CC[C@@H](C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-11(7-6-10-14)8-9-12(2)13(3,4)5/h12H,1,6-10,14H2,2-5H3/t12-/m1/s1
InChIKeyHNYSLSBKSTWNMY-GFCCVEGCSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine?
The IUPAC name of (7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine (CID 88936923) is (7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine.
What is the SMILES notation for (7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine?
The canonical SMILES for (7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine is C=C(CCCN)CC[C@@H](C)C(C)(C)C.
What is the InChIKey of (7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine?
The InChIKey is HNYSLSBKSTWNMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27N/c1-11(7-6-10-14)8-9-12(2)13(3,4)5/h12H,1,6-10,14H2,2-5H3/t12-/m1/s1.
What are the key properties of (7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine?
(7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7,8,8-trimethyl-4-methylidenenonan-1-amine is sourced from PubChem (CID 88936923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).