(Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine

C9H18N2 — CID 170013258

IUPAC(Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine
SMILES[H]/N=C/CC(C)N/C=C(/C)CC
InChIInChI=1S/C9H18N2/c1-4-8(2)7-11-9(3)5-6-10/h6-7,9-11H,4-5H2,1-3H3/b8-7-,10-6+
InChIKeyBZFJXRKEWZTPEZ-SDHBEMGISA-N
MW154.26 g/mol
LogP2.32
Rot. Bonds5

About (Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine

(Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine (PubChem CID 170013258) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine
PubChem CID170013258
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine
SMILES[H]/N=C/CC(C)N/C=C(/C)CC
InChIInChI=1S/C9H18N2/c1-4-8(2)7-11-9(3)5-6-10/h6-7,9-11H,4-5H2,1-3H3/b8-7-,10-6+
InChIKeyBZFJXRKEWZTPEZ-SDHBEMGISA-N
XLogP2.32
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine?
The IUPAC name of (Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine (CID 170013258) is (Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine is [H]/N=C/CC(C)N/C=C(/C)CC.
What is the InChIKey of (Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine?
The InChIKey is BZFJXRKEWZTPEZ-SDHBEMGISA-N. The full InChI is InChI=1S/C9H18N2/c1-4-8(2)7-11-9(3)5-6-10/h6-7,9-11H,4-5H2,1-3H3/b8-7-,10-6+.
What are the key properties of (Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine?
(Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-iminobutan-2-yl)-2-methylbut-1-en-1-amine is sourced from PubChem (CID 170013258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).