N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine

C18H40N4 — CID 143961676

IUPACN-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine
SMILESC=N/C(=C\N(N)CCCC(C)C)CCCCCC.CC.[H]N=C
InChIInChI=1S/C15H31N3.C2H6.CH3N/c1-5-6-7-8-11-15(17-4)13-18(16)12-9-10-14(2)3;2*1-2/h13-14H,4-12,16H2,1-3H3;1-2H3;2H,1H2/b15-13-;;
InChIKeyIYRAIMCBZIVDKN-FQGJLALVSA-N
MW312.55 g/mol
LogP5.40
Rot. Bonds11

About N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine

N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine (PubChem CID 143961676) has the molecular formula C18H40N4 and a molecular weight of 312.55 g/mol. Its IUPAC name is N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine.

Molecular Properties

Compound NameN-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine
PubChem CID143961676
Molecular FormulaC18H40N4
Molecular Weight312.55 g/mol
Exact Mass312.33
IUPAC NameN-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine
SMILESC=N/C(=C\N(N)CCCC(C)C)CCCCCC.CC.[H]N=C
InChIInChI=1S/C15H31N3.C2H6.CH3N/c1-5-6-7-8-11-15(17-4)13-18(16)12-9-10-14(2)3;2*1-2/h13-14H,4-12,16H2,1-3H3;1-2H3;2H,1H2/b15-13-;;
InChIKeyIYRAIMCBZIVDKN-FQGJLALVSA-N
XLogP5.40
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.55
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine?
The IUPAC name of N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine (CID 143961676) is N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine.
What is the SMILES notation for N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine?
The canonical SMILES for N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine is C=N/C(=C\N(N)CCCC(C)C)CCCCCC.CC.[H]N=C.
What is the InChIKey of N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine?
The InChIKey is IYRAIMCBZIVDKN-FQGJLALVSA-N. The full InChI is InChI=1S/C15H31N3.C2H6.CH3N/c1-5-6-7-8-11-15(17-4)13-18(16)12-9-10-14(2)3;2*1-2/h13-14H,4-12,16H2,1-3H3;1-2H3;2H,1H2/b15-13-;;.
What are the key properties of N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine?
N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine has a molecular weight of 312.55 g/mol, XLogP of 5.40, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine is sourced from PubChem (CID 143961676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).