1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine

C15H29N3 — CID 174137839

IUPAC1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine
SMILESC=CN(CC/C(C=C(N)C(C)C)=N\CC)C(C)C
InChIInChI=1S/C15H29N3/c1-7-17-14(11-15(16)12(3)4)9-10-18(8-2)13(5)6/h8,11-13H,2,7,9-10,16H2,1,3-6H3/b15-11?,17-14+
InChIKeyFEIBULMFXHQWBA-QLMHMOMQSA-N
MW251.42 g/mol
LogP3.19
Rot. Bonds8

About 1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine

1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine (PubChem CID 174137839) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine.

Molecular Properties

Compound Name1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine
PubChem CID174137839
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine
SMILESC=CN(CC/C(C=C(N)C(C)C)=N\CC)C(C)C
InChIInChI=1S/C15H29N3/c1-7-17-14(11-15(16)12(3)4)9-10-18(8-2)13(5)6/h8,11-13H,2,7,9-10,16H2,1,3-6H3/b15-11?,17-14+
InChIKeyFEIBULMFXHQWBA-QLMHMOMQSA-N
XLogP3.19
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine?
The IUPAC name of 1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine (CID 174137839) is 1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine.
What is the SMILES notation for 1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine?
The canonical SMILES for 1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine is C=CN(CC/C(C=C(N)C(C)C)=N\CC)C(C)C.
What is the InChIKey of 1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine?
The InChIKey is FEIBULMFXHQWBA-QLMHMOMQSA-N. The full InChI is InChI=1S/C15H29N3/c1-7-17-14(11-15(16)12(3)4)9-10-18(8-2)13(5)6/h8,11-13H,2,7,9-10,16H2,1,3-6H3/b15-11?,17-14+.
What are the key properties of 1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine?
1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine has a molecular weight of 251.42 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethenyl-3-ethylimino-6-methyl-1-N-propan-2-ylhept-4-ene-1,5-diamine is sourced from PubChem (CID 174137839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).