ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene

C15H36N2O — CID 176945999

IUPACethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene
SMILESC=CC.CC.COCC(C)N1CCC(N)C(C)C1.[H][H]
InChIInChI=1S/C10H22N2O.C3H6.C2H6.H2/c1-8-6-12(5-4-10(8)11)9(2)7-13-3;1-3-2;1-2;/h8-10H,4-7,11H2,1-3H3;3H,1H2,2H3;1-2H3;1H
InChIKeyQJCWRRHVAOGLSQ-UHFFFAOYSA-N
MW260.47 g/mol
LogP3.15
Rot. Bonds3

About ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene

ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene (PubChem CID 176945999) has the molecular formula C15H36N2O and a molecular weight of 260.47 g/mol. Its IUPAC name is ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene.

Molecular Properties

Compound Nameethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene
PubChem CID176945999
Molecular FormulaC15H36N2O
Molecular Weight260.47 g/mol
Exact Mass260.28
IUPAC Nameethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene
SMILESC=CC.CC.COCC(C)N1CCC(N)C(C)C1.[H][H]
InChIInChI=1S/C10H22N2O.C3H6.C2H6.H2/c1-8-6-12(5-4-10(8)11)9(2)7-13-3;1-3-2;1-2;/h8-10H,4-7,11H2,1-3H3;3H,1H2,2H3;1-2H3;1H
InChIKeyQJCWRRHVAOGLSQ-UHFFFAOYSA-N
XLogP3.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxyethyl)-3-methylpiperidin-4-amine
CID 61558674
2-methyl-N-(3-morpholin-4-ylpropyl)hex-5-en-3-amine
CID 4711961
N-(2-methoxyethyl)-N-(piperidin-3-ylmethyl)pentan-3-amine
CID 55002544
1-methoxy-N-methyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 61452791
1-(2-Ethoxyethyl)-3-methylpiperidin-4-amine
CID 61557222
1-(1-Methoxypropan-2-yl)-3-methylpiperidin-4-amine
CID 61558477
1-(1-methoxypropan-2-yl)-N,3-dimethylpiperidin-4-amine
CID 61558478
N-ethyl-1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine
CID 61558513
1-(1-methoxypropan-2-yl)-3-methyl-N-propylpiperidin-4-amine
CID 61558514
1-(2-methoxyethyl)-N,3-dimethylpiperidin-4-amine
CID 61558675
N-ethyl-1-(2-methoxyethyl)-3-methylpiperidin-4-amine
CID 61558676
1-(2-methoxyethyl)-3-methyl-N-propylpiperidin-4-amine
CID 61558714

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene?
The IUPAC name of ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene (CID 176945999) is ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene.
What is the SMILES notation for ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene?
The canonical SMILES for ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene is C=CC.CC.COCC(C)N1CCC(N)C(C)C1.[H][H].
What is the InChIKey of ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene?
The InChIKey is QJCWRRHVAOGLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C3H6.C2H6.H2/c1-8-6-12(5-4-10(8)11)9(2)7-13-3;1-3-2;1-2;/h8-10H,4-7,11H2,1-3H3;3H,1H2,2H3;1-2H3;1H.
What are the key properties of ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene?
ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene has a molecular weight of 260.47 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene is sourced from PubChem (CID 176945999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).