N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine

C15H26N2 — CID 130459530

IUPACN,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine
SMILESC=N/C=C(\C=C/C)CN(C)C1CCC(C)CC1
InChIInChI=1S/C15H26N2/c1-5-6-14(11-16-3)12-17(4)15-9-7-13(2)8-10-15/h5-6,11,13,15H,3,7-10,12H2,1-2,4H3/b6-5-,14-11+
InChIKeyDJPCYEDVUKHCOG-OQSGZJJPSA-N
MW234.39 g/mol
LogP3.66
Rot. Bonds5

About N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine

N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine (PubChem CID 130459530) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine
PubChem CID130459530
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine
SMILESC=N/C=C(\C=C/C)CN(C)C1CCC(C)CC1
InChIInChI=1S/C15H26N2/c1-5-6-14(11-16-3)12-17(4)15-9-7-13(2)8-10-15/h5-6,11,13,15H,3,7-10,12H2,1-2,4H3/b6-5-,14-11+
InChIKeyDJPCYEDVUKHCOG-OQSGZJJPSA-N
XLogP3.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine (CID 130459530) is N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine is C=N/C=C(\C=C/C)CN(C)C1CCC(C)CC1.
What is the InChIKey of N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine?
The InChIKey is DJPCYEDVUKHCOG-OQSGZJJPSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-6-14(11-16-3)12-17(4)15-9-7-13(2)8-10-15/h5-6,11,13,15H,3,7-10,12H2,1-2,4H3/b6-5-,14-11+.
What are the key properties of N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine?
N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine is sourced from PubChem (CID 130459530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).