(5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine

C15H28N2 — CID 123176039

IUPAC(5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine
SMILES[H]/N=C(/C=C(\CC)C(C)(C)C)C(C)=C(C)N(C)C
InChIInChI=1S/C15H28N2/c1-9-13(15(4,5)6)10-14(16)11(2)12(3)17(7)8/h10,16H,9H2,1-8H3/b12-11?,13-10+,16-14-
InChIKeyJFILDISWFPVMSD-YDAWSWKPSA-N
MW236.40 g/mol
LogP4.24
Rot. Bonds4

About (5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine

(5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine (PubChem CID 123176039) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine.

Molecular Properties

Compound Name(5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine
PubChem CID123176039
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine
SMILES[H]/N=C(/C=C(\CC)C(C)(C)C)C(C)=C(C)N(C)C
InChIInChI=1S/C15H28N2/c1-9-13(15(4,5)6)10-14(16)11(2)12(3)17(7)8/h10,16H,9H2,1-8H3/b12-11?,13-10+,16-14-
InChIKeyJFILDISWFPVMSD-YDAWSWKPSA-N
XLogP4.24
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.24
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)-N,N,5,5-tetramethyl-4-methyliminohex-2-en-2-amine
CID 59782196
N,N,5,5-tetramethyl-4-methyliminohex-2-en-2-amine
CID 72560394
(Z)-4-imino-N,N,3,5-tetramethylhex-2-en-2-amine
CID 88848988
(Z)-3-ethanimidoyl-N,N,4-trimethylpent-2-en-2-amine
CID 156433787
N-[(Z)-2-imino-5-methylhex-3-en-3-yl]-4,4-dimethyl-2-methylidenepentan-1-imine
CID 144541876

Frequently Asked Questions

What is the IUPAC name of (5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine?
The IUPAC name of (5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine (CID 123176039) is (5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine.
What is the SMILES notation for (5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine?
The canonical SMILES for (5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine is [H]/N=C(/C=C(\CC)C(C)(C)C)C(C)=C(C)N(C)C.
What is the InChIKey of (5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine?
The InChIKey is JFILDISWFPVMSD-YDAWSWKPSA-N. The full InChI is InChI=1S/C15H28N2/c1-9-13(15(4,5)6)10-14(16)11(2)12(3)17(7)8/h10,16H,9H2,1-8H3/b12-11?,13-10+,16-14-.
What are the key properties of (5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine?
(5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine has a molecular weight of 236.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-ethyl-4-imino-N,N,3,7,7-pentamethylocta-2,5-dien-2-amine is sourced from PubChem (CID 123176039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).