N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine

C14H25NO2 — CID 62803288

IUPACN-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C1COCCO1
InChIInChI=1S/C14H25NO2/c1-2-8-15-14(12-6-4-3-5-7-12)13-11-16-9-10-17-13/h6,13-15H,2-5,7-11H2,1H3
InChIKeyKQDUTLYORLRWHJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.27
Rot. Bonds5

About N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine

N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine (PubChem CID 62803288) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
PubChem CID62803288
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C1COCCO1
InChIInChI=1S/C14H25NO2/c1-2-8-15-14(12-6-4-3-5-7-12)13-11-16-9-10-17-13/h6,13-15H,2-5,7-11H2,1H3
InChIKeyKQDUTLYORLRWHJ-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine (CID 62803288) is N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine is CCCNC(C1=CCCCC1)C1COCCO1.
What is the InChIKey of N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine?
The InChIKey is KQDUTLYORLRWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-8-15-14(12-6-4-3-5-7-12)13-11-16-9-10-17-13/h6,13-15H,2-5,7-11H2,1H3.
What are the key properties of N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine?
N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl(1,4-dioxan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62803288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).