(Z)-2-methanimidoyl-3-methylpent-1-en-1-amine

C7H14N2 — CID 147081796

IUPAC(Z)-2-methanimidoyl-3-methylpent-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C(C)CC
InChIInChI=1S/C7H14N2/c1-3-6(2)7(4-8)5-9/h4-6,8H,3,9H2,1-2H3/b7-5+,8-4+
InChIKeyBHBJRPIKHOVOER-JBVHCYJISA-N
MW126.20 g/mol
LogP1.52
Rot. Bonds3

About (Z)-2-methanimidoyl-3-methylpent-1-en-1-amine

(Z)-2-methanimidoyl-3-methylpent-1-en-1-amine (PubChem CID 147081796) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-2-methanimidoyl-3-methylpent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methanimidoyl-3-methylpent-1-en-1-amine
PubChem CID147081796
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-2-methanimidoyl-3-methylpent-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C(C)CC
InChIInChI=1S/C7H14N2/c1-3-6(2)7(4-8)5-9/h4-6,8H,3,9H2,1-2H3/b7-5+,8-4+
InChIKeyBHBJRPIKHOVOER-JBVHCYJISA-N
XLogP1.52
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-amino-2-methanimidoylhex-1-en-3-ol
CID 144877709
3-methylpentane-1,2-diimine
CID 139890655
(E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine
CID 170964623
4-methyl-2,3-dimethylidenehexan-1-imine
CID 170635680
2-N-propan-2-ylbutane-1,2-diimine
CID 123596480
3-amino-1-iminobutan-2-one
CID 174343794
ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine
CID 178156046
3-imino-4-methylhexan-2-one
CID 174544860
3-methanimidoylpent-2-en-2-amine
CID 173477121
(2S)-6-imino-2-methyl-5-oxohexanoic acid
CID 177044408
(E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide
CID 170192753
(6-imino-2,4-dimethyl-5-oxohexan-2-yl) carbamate
CID 174513579

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methanimidoyl-3-methylpent-1-en-1-amine?
The IUPAC name of (Z)-2-methanimidoyl-3-methylpent-1-en-1-amine (CID 147081796) is (Z)-2-methanimidoyl-3-methylpent-1-en-1-amine.
What is the SMILES notation for (Z)-2-methanimidoyl-3-methylpent-1-en-1-amine?
The canonical SMILES for (Z)-2-methanimidoyl-3-methylpent-1-en-1-amine is [H]/N=C/C(=C\N)C(C)CC.
What is the InChIKey of (Z)-2-methanimidoyl-3-methylpent-1-en-1-amine?
The InChIKey is BHBJRPIKHOVOER-JBVHCYJISA-N. The full InChI is InChI=1S/C7H14N2/c1-3-6(2)7(4-8)5-9/h4-6,8H,3,9H2,1-2H3/b7-5+,8-4+.
What are the key properties of (Z)-2-methanimidoyl-3-methylpent-1-en-1-amine?
(Z)-2-methanimidoyl-3-methylpent-1-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methanimidoyl-3-methylpent-1-en-1-amine is sourced from PubChem (CID 147081796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).