N,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine

C14H28N2 — CID 130462323

IUPACN,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine
SMILESC=C(CCNC)CC/C(CC(C)(C)C)=N\C
InChIInChI=1S/C14H28N2/c1-12(9-10-15-5)7-8-13(16-6)11-14(2,3)4/h15H,1,7-11H2,2-6H3/b16-13+
InChIKeyWBBOKKLELULKDZ-DTQAZKPQSA-N
MW224.39 g/mol
LogP3.44
Rot. Bonds7

About N,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine

N,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine (PubChem CID 130462323) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine.

Molecular Properties

Compound NameN,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine
PubChem CID130462323
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine
SMILESC=C(CCNC)CC/C(CC(C)(C)C)=N\C
InChIInChI=1S/C14H28N2/c1-12(9-10-15-5)7-8-13(16-6)11-14(2,3)4/h15H,1,7-11H2,2-6H3/b16-13+
InChIKeyWBBOKKLELULKDZ-DTQAZKPQSA-N
XLogP3.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine?
The IUPAC name of N,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine (CID 130462323) is N,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine.
What is the SMILES notation for N,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine?
The canonical SMILES for N,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine is C=C(CCNC)CC/C(CC(C)(C)C)=N\C.
What is the InChIKey of N,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine?
The InChIKey is WBBOKKLELULKDZ-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(9-10-15-5)7-8-13(16-6)11-14(2,3)4/h15H,1,7-11H2,2-6H3/b16-13+.
What are the key properties of N,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine?
N,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine is sourced from PubChem (CID 130462323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).