4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine

C19H37FN4 — CID 142562638

IUPAC4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine
SMILESC/C=C\C(CNCC1CCC(N)CC1)=N\F.C=C(C)NCCCC
InChIInChI=1S/C12H22FN3.C7H15N/c1-2-3-12(16-13)9-15-8-10-4-6-11(14)7-5-10;1-4-5-6-8-7(2)3/h2-3,10-11,15H,4-9,14H2,1H3;8H,2,4-6H2,1,3H3/b3-2-,16-12-;
InChIKeyDDUXMKFEEQZBTN-IGEXTWTBSA-N
MW340.53 g/mol
LogP3.90
Rot. Bonds9

About 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine

4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine (PubChem CID 142562638) has the molecular formula C19H37FN4 and a molecular weight of 340.53 g/mol. Its IUPAC name is 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine
PubChem CID142562638
Molecular FormulaC19H37FN4
Molecular Weight340.53 g/mol
Exact Mass340.30
IUPAC Name4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine
SMILESC/C=C\C(CNCC1CCC(N)CC1)=N\F.C=C(C)NCCCC
InChIInChI=1S/C12H22FN3.C7H15N/c1-2-3-12(16-13)9-15-8-10-4-6-11(14)7-5-10;1-4-5-6-8-7(2)3/h2-3,10-11,15H,4-9,14H2,1H3;8H,2,4-6H2,1,3H3/b3-2-,16-12-;
InChIKeyDDUXMKFEEQZBTN-IGEXTWTBSA-N
XLogP3.90
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine with MolForge

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Related Compounds

4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine
CID 142562639
4-[[[(2Z,4E,7Z)-9-methyliminonona-2,4,7-trien-5-yl]amino]methyl]cyclohexan-1-amine
CID 89209337
3-imino-4-methyl-N-(4-methylcyclohexen-1-yl)cyclohexan-1-amine
CID 134564048
N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine
CID 135234115
N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
CID 143440305
ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
CID 143656319
N-[(E)-6-ethyl-4-(methylaminomethylimino)non-2-en-2-yl]cyclohexanamine
CID 174067154

Frequently Asked Questions

What is the IUPAC name of 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine?
The IUPAC name of 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine (CID 142562638) is 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine.
What is the SMILES notation for 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine?
The canonical SMILES for 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine is C/C=C\C(CNCC1CCC(N)CC1)=N\F.C=C(C)NCCCC.
What is the InChIKey of 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine?
The InChIKey is DDUXMKFEEQZBTN-IGEXTWTBSA-N. The full InChI is InChI=1S/C12H22FN3.C7H15N/c1-2-3-12(16-13)9-15-8-10-4-6-11(14)7-5-10;1-4-5-6-8-7(2)3/h2-3,10-11,15H,4-9,14H2,1H3;8H,2,4-6H2,1,3H3/b3-2-,16-12-;.
What are the key properties of 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine?
4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine has a molecular weight of 340.53 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(Z,2Z)-2-fluoroiminopent-3-enyl]amino]methyl]cyclohexan-1-amine;N-prop-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 142562638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).