4-cycloundecylimino-N-propylcyclobut-2-en-1-amine

C18H32N2 — CID 91140505

IUPAC4-cycloundecylimino-N-propylcyclobut-2-en-1-amine
SMILESCCCNC1C=C/C1=N\C1CCCCCCCCCC1
InChIInChI=1S/C18H32N2/c1-2-15-19-17-13-14-18(17)20-16-11-9-7-5-3-4-6-8-10-12-16/h13-14,16-17,19H,2-12,15H2,1H3/b20-18+
InChIKeyZVVGBDSMYSMDOY-CZIZESTLSA-N
MW276.47 g/mol
LogP4.65
Rot. Bonds4

About 4-cycloundecylimino-N-propylcyclobut-2-en-1-amine

4-cycloundecylimino-N-propylcyclobut-2-en-1-amine (PubChem CID 91140505) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-cycloundecylimino-N-propylcyclobut-2-en-1-amine.

Molecular Properties

Compound Name4-cycloundecylimino-N-propylcyclobut-2-en-1-amine
PubChem CID91140505
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-cycloundecylimino-N-propylcyclobut-2-en-1-amine
SMILESCCCNC1C=C/C1=N\C1CCCCCCCCCC1
InChIInChI=1S/C18H32N2/c1-2-15-19-17-13-14-18(17)20-16-11-9-7-5-3-4-6-8-10-12-16/h13-14,16-17,19H,2-12,15H2,1H3/b20-18+
InChIKeyZVVGBDSMYSMDOY-CZIZESTLSA-N
XLogP4.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.65
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

Allyl-(1-methyl-pent-4-enylidene)-amine Allyl-(1-methyl-pent-4-enyl)-amine
CID 22036684
N-ethyl-3-methyliminooct-1-en-4-amine
CID 123344021
N'-heptatriaconta-6,9,28,31-tetraen-19-yl-2-methyliminobutane-1,4-diamine
CID 123916330
N-[3-[(6E,10Z)-dodeca-6,10-dienyl]iminobutyl]pentan-3-amine
CID 129214843
9-[(Z)-but-2-en-2-yl]imino-8-N,8-N-di(nonyl)undec-10-ene-1,8-diamine
CID 168879558

Frequently Asked Questions

What is the IUPAC name of 4-cycloundecylimino-N-propylcyclobut-2-en-1-amine?
The IUPAC name of 4-cycloundecylimino-N-propylcyclobut-2-en-1-amine (CID 91140505) is 4-cycloundecylimino-N-propylcyclobut-2-en-1-amine.
What is the SMILES notation for 4-cycloundecylimino-N-propylcyclobut-2-en-1-amine?
The canonical SMILES for 4-cycloundecylimino-N-propylcyclobut-2-en-1-amine is CCCNC1C=C/C1=N\C1CCCCCCCCCC1.
What is the InChIKey of 4-cycloundecylimino-N-propylcyclobut-2-en-1-amine?
The InChIKey is ZVVGBDSMYSMDOY-CZIZESTLSA-N. The full InChI is InChI=1S/C18H32N2/c1-2-15-19-17-13-14-18(17)20-16-11-9-7-5-3-4-6-8-10-12-16/h13-14,16-17,19H,2-12,15H2,1H3/b20-18+.
What are the key properties of 4-cycloundecylimino-N-propylcyclobut-2-en-1-amine?
4-cycloundecylimino-N-propylcyclobut-2-en-1-amine has a molecular weight of 276.47 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloundecylimino-N-propylcyclobut-2-en-1-amine is sourced from PubChem (CID 91140505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).