1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine

C13H25NO — CID 116661569

IUPAC1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine
SMILESCNC(COC(C)C)CC1=CCCCC1
InChIInChI=1S/C13H25NO/c1-11(2)15-10-13(14-3)9-12-7-5-4-6-8-12/h7,11,13-14H,4-6,8-10H2,1-3H3
InChIKeyNJYARZOUPGKCII-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds6

About 1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine

1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine (PubChem CID 116661569) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine
PubChem CID116661569
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine
SMILESCNC(COC(C)C)CC1=CCCCC1
InChIInChI=1S/C13H25NO/c1-11(2)15-10-13(14-3)9-12-7-5-4-6-8-12/h7,11,13-14H,4-6,8-10H2,1-3H3
InChIKeyNJYARZOUPGKCII-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207520
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654847
N-[1-(cyclohexen-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 106654850
N-[1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 113788173
1-(cycloocten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 113860664
1-(cyclohexen-1-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 113860666
2-(cyclohexen-1-yl)-N-(2-undecoxyethyl)ethanamine
CID 22091473
5-(Cyclohexen-1-yl)-3-methoxypentane-1,4-diamine
CID 67562607
(1S,2R,6R)-4-ethyl-2-pentan-3-yloxy-7-azabicyclo[4.1.0]hept-3-ene
CID 87218160
(2R,12Z,15Z)-1-hexoxy-N-methylhenicosa-12,15-dien-2-amine
CID 88559669

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine (CID 116661569) is 1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine is CNC(COC(C)C)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine?
The InChIKey is NJYARZOUPGKCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)15-10-13(14-3)9-12-7-5-4-6-8-12/h7,11,13-14H,4-6,8-10H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine?
1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 116661569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).