(Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine

C14H25N — CID 10976669

IUPAC(Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine
SMILESCCCCC#C/C(C)=C\CNC(C)(C)C
InChIInChI=1S/C14H25N/c1-6-7-8-9-10-13(2)11-12-15-14(3,4)5/h11,15H,6-8,12H2,1-5H3/b13-11-
InChIKeyCBBDIZFHBSPKSN-QBFSEMIESA-N
MW207.36 g/mol
LogP3.51
Rot. Bonds4

About (Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine

(Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine (PubChem CID 10976669) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine
PubChem CID10976669
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine
SMILESCCCCC#C/C(C)=C\CNC(C)(C)C
InChIInChI=1S/C14H25N/c1-6-7-8-9-10-13(2)11-12-15-14(3,4)5/h11,15H,6-8,12H2,1-5H3/b13-11-
InChIKeyCBBDIZFHBSPKSN-QBFSEMIESA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine?
The IUPAC name of (Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine (CID 10976669) is (Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine.
What is the SMILES notation for (Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine?
The canonical SMILES for (Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine is CCCCC#C/C(C)=C\CNC(C)(C)C.
What is the InChIKey of (Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine?
The InChIKey is CBBDIZFHBSPKSN-QBFSEMIESA-N. The full InChI is InChI=1S/C14H25N/c1-6-7-8-9-10-13(2)11-12-15-14(3,4)5/h11,15H,6-8,12H2,1-5H3/b13-11-.
What are the key properties of (Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine?
(Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-3-methylnon-2-en-4-yn-1-amine is sourced from PubChem (CID 10976669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).