(E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine

C9H18N2 — CID 123975888

IUPAC(E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine
SMILESC/C(CC(C)C)=N\C=C\CN
InChIInChI=1S/C9H18N2/c1-8(2)7-9(3)11-6-4-5-10/h4,6,8H,5,7,10H2,1-3H3/b6-4+,11-9+
InChIKeyRFHNQEATCBKBQK-HBWGMBCBSA-N
MW154.26 g/mol
LogP1.97
Rot. Bonds4

About (E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine

(E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine (PubChem CID 123975888) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine
PubChem CID123975888
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine
SMILESC/C(CC(C)C)=N\C=C\CN
InChIInChI=1S/C9H18N2/c1-8(2)7-9(3)11-6-4-5-10/h4,6,8H,5,7,10H2,1-3H3/b6-4+,11-9+
InChIKeyRFHNQEATCBKBQK-HBWGMBCBSA-N
XLogP1.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(2-methylhexan-3-ylideneamino)ethenamine
CID 126657166
(Z)-1-(2-methylpentan-3-ylideneamino)prop-1-en-2-amine
CID 138719703
2-methyl-N-[(Z)-prop-1-enyl]pentan-3-imine
CID 142329831
2-[(1Z)-buta-1,3-dienyl]imino-3-methylbutan-1-amine
CID 156193609
(3Z)-4-(3-methylbutan-2-ylideneamino)buta-1,3-dien-2-amine
CID 156532435
(Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine
CID 170193886
5-Methyl-3-methyliminohex-1-en-1-amine
CID 173989377
3-Ethylimino-5-methylhex-1-en-1-amine
CID 173989404
(Z)-5-methyl-3-methyliminohex-1-en-1-amine
CID 166900836

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine?
The IUPAC name of (E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine (CID 123975888) is (E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine is C/C(CC(C)C)=N\C=C\CN.
What is the InChIKey of (E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine?
The InChIKey is RFHNQEATCBKBQK-HBWGMBCBSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)7-9(3)11-6-4-5-10/h4,6,8H,5,7,10H2,1-3H3/b6-4+,11-9+.
What are the key properties of (E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine?
(E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylpentan-2-ylideneamino)prop-2-en-1-amine is sourced from PubChem (CID 123975888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).