(3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine

C14H24N2O — CID 89394858

IUPAC(3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine
SMILESC=C(C)/C(N)=C1\C=C(NCCCOC)CCC1
InChIInChI=1S/C14H24N2O/c1-11(2)14(15)12-6-4-7-13(10-12)16-8-5-9-17-3/h10,16H,1,4-9,15H2,2-3H3/b14-12+
InChIKeyOQTQGSYYOBQUAL-WYMLVPIESA-N
MW236.36 g/mol
LogP2.47
Rot. Bonds6

About (3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine

(3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine (PubChem CID 89394858) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine.

Molecular Properties

Compound Name(3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine
PubChem CID89394858
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine
SMILESC=C(C)/C(N)=C1\C=C(NCCCOC)CCC1
InChIInChI=1S/C14H24N2O/c1-11(2)14(15)12-6-4-7-13(10-12)16-8-5-9-17-3/h10,16H,1,4-9,15H2,2-3H3/b14-12+
InChIKeyOQTQGSYYOBQUAL-WYMLVPIESA-N
XLogP2.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine?
The IUPAC name of (3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine (CID 89394858) is (3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine.
What is the SMILES notation for (3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine?
The canonical SMILES for (3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine is C=C(C)/C(N)=C1\C=C(NCCCOC)CCC1.
What is the InChIKey of (3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine?
The InChIKey is OQTQGSYYOBQUAL-WYMLVPIESA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)14(15)12-6-4-7-13(10-12)16-8-5-9-17-3/h10,16H,1,4-9,15H2,2-3H3/b14-12+.
What are the key properties of (3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine?
(3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-amino-2-methylprop-2-enylidene)-N-(3-methoxypropyl)cyclohexen-1-amine is sourced from PubChem (CID 89394858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).