N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine

C16H28N2 — CID 144654680

IUPACN-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
SMILESC=C/C(=C\N=C\C)C(C)N(C)C1CCC(C)CC1
InChIInChI=1S/C16H28N2/c1-6-15(12-17-7-2)14(4)18(5)16-10-8-13(3)9-11-16/h6-7,12-14,16H,1,8-11H2,2-5H3/b15-12+,17-7+
InChIKeyYOAKEJRUIYHTOM-MLSPVVHRSA-N
MW248.41 g/mol
LogP4.05
Rot. Bonds5

About N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine

N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 144654680) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
PubChem CID144654680
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
SMILESC=C/C(=C\N=C\C)C(C)N(C)C1CCC(C)CC1
InChIInChI=1S/C16H28N2/c1-6-15(12-17-7-2)14(4)18(5)16-10-8-13(3)9-11-16/h6-7,12-14,16H,1,8-11H2,2-5H3/b15-12+,17-7+
InChIKeyYOAKEJRUIYHTOM-MLSPVVHRSA-N
XLogP4.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.05
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-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine (CID 144654680) is N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine is C=C/C(=C\N=C\C)C(C)N(C)C1CCC(C)CC1.
What is the InChIKey of N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is YOAKEJRUIYHTOM-MLSPVVHRSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-15(12-17-7-2)14(4)18(5)16-10-8-13(3)9-11-16/h6-7,12-14,16H,1,8-11H2,2-5H3/b15-12+,17-7+.
What are the key properties of N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 144654680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).