2-methyl-4-pentan-2-yliminopent-2-en-3-amine

C11H22N2 — CID 123336491

IUPAC2-methyl-4-pentan-2-yliminopent-2-en-3-amine
SMILESCCCC(C)/N=C(\C)C(N)=C(C)C
InChIInChI=1S/C11H22N2/c1-6-7-9(4)13-10(5)11(12)8(2)3/h9H,6-7,12H2,1-5H3/b13-10+
InChIKeySPEXJYCXRWJCRP-JLHYYAGUSA-N
MW182.31 g/mol
LogP2.89
Rot. Bonds4

About 2-methyl-4-pentan-2-yliminopent-2-en-3-amine

2-methyl-4-pentan-2-yliminopent-2-en-3-amine (PubChem CID 123336491) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-methyl-4-pentan-2-yliminopent-2-en-3-amine.

Molecular Properties

Compound Name2-methyl-4-pentan-2-yliminopent-2-en-3-amine
PubChem CID123336491
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-methyl-4-pentan-2-yliminopent-2-en-3-amine
SMILESCCCC(C)/N=C(\C)C(N)=C(C)C
InChIInChI=1S/C11H22N2/c1-6-7-9(4)13-10(5)11(12)8(2)3/h9H,6-7,12H2,1-5H3/b13-10+
InChIKeySPEXJYCXRWJCRP-JLHYYAGUSA-N
XLogP2.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.89
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)-4-ethylimino-3-methylpent-2-en-2-amine
CID 132246404
2-Methyl-4-(2-methylprop-1-enylimino)pent-2-en-3-amine
CID 137489415
ethane;(2Z)-1-N-methyl-2-[1-(methylideneamino)ethylidene]pentane-1,4-diimine
CID 141838865
ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine
CID 143056794
(Z)-3-ethyl-4-methyliminopent-2-en-2-amine
CID 143420792
4-Ethylimino-3-methylpent-2-en-2-amine
CID 148068041
3-Ethyl-4-methyliminopent-2-en-2-amine
CID 152849528
ethane;(Z)-3-ethyl-4-ethyliminopent-2-en-2-amine
CID 153355543
Ethane;2-methyl-4-propan-2-yliminopent-2-en-3-amine
CID 162681965
(Z)-3-(C,N-dimethylcarbonimidoyl)pent-3-ene-1,4-diamine
CID 163977391
(E)-3-methyl-4-(pentan-3-ylideneamino)pent-3-en-1-amine
CID 166703468
(E)-4-butan-2-yliminopent-2-ene-2,3-diamine
CID 166864941

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pentan-2-yliminopent-2-en-3-amine?
The IUPAC name of 2-methyl-4-pentan-2-yliminopent-2-en-3-amine (CID 123336491) is 2-methyl-4-pentan-2-yliminopent-2-en-3-amine.
What is the SMILES notation for 2-methyl-4-pentan-2-yliminopent-2-en-3-amine?
The canonical SMILES for 2-methyl-4-pentan-2-yliminopent-2-en-3-amine is CCCC(C)/N=C(\C)C(N)=C(C)C.
What is the InChIKey of 2-methyl-4-pentan-2-yliminopent-2-en-3-amine?
The InChIKey is SPEXJYCXRWJCRP-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-7-9(4)13-10(5)11(12)8(2)3/h9H,6-7,12H2,1-5H3/b13-10+.
What are the key properties of 2-methyl-4-pentan-2-yliminopent-2-en-3-amine?
2-methyl-4-pentan-2-yliminopent-2-en-3-amine has a molecular weight of 182.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pentan-2-yliminopent-2-en-3-amine is sourced from PubChem (CID 123336491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).