4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine

C14H26N2 — CID 123932490

IUPAC4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine
SMILESCC(C)/N=C/C=C/C(C)C1CCC(N)CC1
InChIInChI=1S/C14H26N2/c1-11(2)16-10-4-5-12(3)13-6-8-14(15)9-7-13/h4-5,10-14H,6-9,15H2,1-3H3/b5-4+,16-10+
InChIKeyUCHVKIYJDMHKNJ-LKUDIIGBSA-N
MW222.38 g/mol
LogP3.18
Rot. Bonds4

About 4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine

4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine (PubChem CID 123932490) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine
PubChem CID123932490
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine
SMILESCC(C)/N=C/C=C/C(C)C1CCC(N)CC1
InChIInChI=1S/C14H26N2/c1-11(2)16-10-4-5-12(3)13-6-8-14(15)9-7-13/h4-5,10-14H,6-9,15H2,1-3H3/b5-4+,16-10+
InChIKeyUCHVKIYJDMHKNJ-LKUDIIGBSA-N
XLogP3.18
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.18
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

2-[(4-propan-2-ylcyclohexyl)methyl]-2H-pyrrole
CID 89987468
(2R)-2-(2,3-dihydropyridin-2-yl)-4-methylpentan-1-amine
CID 132227948
2-(4-Methylcyclohex-2-en-1-yl)-2,3-dihydropyridine
CID 143683325
4-(3-Methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine
CID 144780867
6-Propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline
CID 145831145
4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine
CID 153404821
2-ethyl-4,5-dimethyl-6-[(Z)-6-methyloct-4-en-2-yl]iminohexan-1-amine
CID 166906814
(Z,2R,3R)-2-[(3S)-2-ethyl-3,4-dihydro-2H-pyrrol-3-yl]oct-5-en-3-amine
CID 173898841
[2-(2-Methylpropylidene)-5-(2-methylpropylideneamino)cyclohexyl]methanamine
CID 175979115
4-[(Z)-5-(ethylideneamino)-4-methylidenehept-5-en-3-yl]cyclohexan-1-amine
CID 143682311
4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine
CID 153404596

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine (CID 123932490) is 4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine is CC(C)/N=C/C=C/C(C)C1CCC(N)CC1.
What is the InChIKey of 4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine?
The InChIKey is UCHVKIYJDMHKNJ-LKUDIIGBSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(2)16-10-4-5-12(3)13-6-8-14(15)9-7-13/h4-5,10-14H,6-9,15H2,1-3H3/b5-4+,16-10+.
What are the key properties of 4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine?
4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 123932490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).