N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine

C13H22N2 — CID 138549377

IUPACN-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine
SMILESC=C(C)/N=C/C(CC)NC1CC=CCC1
InChIInChI=1S/C13H22N2/c1-4-12(10-14-11(2)3)15-13-8-6-5-7-9-13/h5-6,10,12-13,15H,2,4,7-9H2,1,3H3/b14-10+
InChIKeyBAEKPYWCTHHPSS-GXDHUFHOSA-N
MW206.33 g/mol
LogP3.07
Rot. Bonds5

About N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine

N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine (PubChem CID 138549377) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine
PubChem CID138549377
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine
SMILESC=C(C)/N=C/C(CC)NC1CC=CCC1
InChIInChI=1S/C13H22N2/c1-4-12(10-14-11(2)3)15-13-8-6-5-7-9-13/h5-6,10,12-13,15H,2,4,7-9H2,1,3H3/b14-10+
InChIKeyBAEKPYWCTHHPSS-GXDHUFHOSA-N
XLogP3.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine?
The IUPAC name of N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine (CID 138549377) is N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine.
What is the SMILES notation for N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine?
The canonical SMILES for N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine is C=C(C)/N=C/C(CC)NC1CC=CCC1.
What is the InChIKey of N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine?
The InChIKey is BAEKPYWCTHHPSS-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-12(10-14-11(2)3)15-13-8-6-5-7-9-13/h5-6,10,12-13,15H,2,4,7-9H2,1,3H3/b14-10+.
What are the key properties of N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine?
N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine has a molecular weight of 206.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine is sourced from PubChem (CID 138549377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).