N-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine

C11H23N3 — CID 145374440

IUPACN-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine
SMILESC=N/C(=C\N(N)CCCC)CCCC
InChIInChI=1S/C11H23N3/c1-4-6-8-11(13-3)10-14(12)9-7-5-2/h10H,3-9,12H2,1-2H3/b11-10-
InChIKeyOTRWKBSXWMWQLZ-KHPPLWFESA-N
MW197.33 g/mol
LogP2.69
Rot. Bonds8

About N-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine

N-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine (PubChem CID 145374440) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine
PubChem CID145374440
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine
SMILESC=N/C(=C\N(N)CCCC)CCCC
InChIInChI=1S/C11H23N3/c1-4-6-8-11(13-3)10-14(12)9-7-5-2/h10H,3-9,12H2,1-2H3/b11-10-
InChIKeyOTRWKBSXWMWQLZ-KHPPLWFESA-N
XLogP2.69
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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(butyl)amino]hex-1-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine (CID 145374440) is N-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine is C=N/C(=C\N(N)CCCC)CCCC.
What is the InChIKey of N-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine?
The InChIKey is OTRWKBSXWMWQLZ-KHPPLWFESA-N. The full InChI is InChI=1S/C11H23N3/c1-4-6-8-11(13-3)10-14(12)9-7-5-2/h10H,3-9,12H2,1-2H3/b11-10-.
What are the key properties of N-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine?
N-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine has a molecular weight of 197.33 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[amino(butyl)amino]hex-1-en-2-yl]methanimine is sourced from PubChem (CID 145374440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).