N,2,2-trimethyl-7-methylidenenonan-3-amine

C13H27N — CID 66037615

IUPACN,2,2-trimethyl-7-methylidenenonan-3-amine
SMILESC=C(CC)CCCC(NC)C(C)(C)C
InChIInChI=1S/C13H27N/c1-7-11(2)9-8-10-12(14-6)13(3,4)5/h12,14H,2,7-10H2,1,3-6H3
InChIKeyGSPMWDCNFCOJAF-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.76
Rot. Bonds6

About N,2,2-trimethyl-7-methylidenenonan-3-amine

N,2,2-trimethyl-7-methylidenenonan-3-amine (PubChem CID 66037615) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,2,2-trimethyl-7-methylidenenonan-3-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-7-methylidenenonan-3-amine
PubChem CID66037615
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,2,2-trimethyl-7-methylidenenonan-3-amine
SMILESC=C(CC)CCCC(NC)C(C)(C)C
InChIInChI=1S/C13H27N/c1-7-11(2)9-8-10-12(14-6)13(3,4)5/h12,14H,2,7-10H2,1,3-6H3
InChIKeyGSPMWDCNFCOJAF-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 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 ≤ 53.76
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 N,2,2-trimethyl-7-methylidenenonan-3-amine?
The IUPAC name of N,2,2-trimethyl-7-methylidenenonan-3-amine (CID 66037615) is N,2,2-trimethyl-7-methylidenenonan-3-amine.
What is the SMILES notation for N,2,2-trimethyl-7-methylidenenonan-3-amine?
The canonical SMILES for N,2,2-trimethyl-7-methylidenenonan-3-amine is C=C(CC)CCCC(NC)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-7-methylidenenonan-3-amine?
The InChIKey is GSPMWDCNFCOJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-7-11(2)9-8-10-12(14-6)13(3,4)5/h12,14H,2,7-10H2,1,3-6H3.
What are the key properties of N,2,2-trimethyl-7-methylidenenonan-3-amine?
N,2,2-trimethyl-7-methylidenenonan-3-amine has a molecular weight of 197.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-7-methylidenenonan-3-amine is sourced from PubChem (CID 66037615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).