N-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine

C14H29N3 — CID 143961636

IUPACN-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine
SMILESC=N/C(=C\N(N)CCC(C)C)CCCCCC
InChIInChI=1S/C14H29N3/c1-5-6-7-8-9-14(16-4)12-17(15)11-10-13(2)3/h12-13H,4-11,15H2,1-3H3/b14-12-
InChIKeyNDVJGXFGFJKHAA-OWBHPGMISA-N
MW239.41 g/mol
LogP3.72
Rot. Bonds10

About N-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine

N-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine (PubChem CID 143961636) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine
PubChem CID143961636
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine
SMILESC=N/C(=C\N(N)CCC(C)C)CCCCCC
InChIInChI=1S/C14H29N3/c1-5-6-7-8-9-14(16-4)12-17(15)11-10-13(2)3/h12-13H,4-11,15H2,1-3H3/b14-12-
InChIKeyNDVJGXFGFJKHAA-OWBHPGMISA-N
XLogP3.72
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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(3-methylbutyl)amino]oct-1-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine (CID 143961636) is N-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine is C=N/C(=C\N(N)CCC(C)C)CCCCCC.
What is the InChIKey of N-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine?
The InChIKey is NDVJGXFGFJKHAA-OWBHPGMISA-N. The full InChI is InChI=1S/C14H29N3/c1-5-6-7-8-9-14(16-4)12-17(15)11-10-13(2)3/h12-13H,4-11,15H2,1-3H3/b14-12-.
What are the key properties of N-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine?
N-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine has a molecular weight of 239.41 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-yl]methanimine is sourced from PubChem (CID 143961636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).