methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen

C14H34N2O — CID 177204312

IUPACmethanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen
SMILESCC(C)N1CCC(C)(N)CC1.CC1CC1.CO.[H][H]
InChIInChI=1S/C9H20N2.C4H8.CH4O.H2/c1-8(2)11-6-4-9(3,10)5-7-11;1-4-2-3-4;1-2;/h8H,4-7,10H2,1-3H3;4H,2-3H2,1H3;2H,1H3;1H
InChIKeyPBTYXCAFILQIHD-UHFFFAOYSA-N
MW246.44 g/mol
LogP2.48
Rot. Bonds1

About methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen

methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen (PubChem CID 177204312) has the molecular formula C14H34N2O and a molecular weight of 246.44 g/mol. Its IUPAC name is methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Namemethanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen
PubChem CID177204312
Molecular FormulaC14H34N2O
Molecular Weight246.44 g/mol
Exact Mass246.27
IUPAC Namemethanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen
SMILESCC(C)N1CCC(C)(N)CC1.CC1CC1.CO.[H][H]
InChIInChI=1S/C9H20N2.C4H8.CH4O.H2/c1-8(2)11-6-4-9(3,10)5-7-11;1-4-2-3-4;1-2;/h8H,4-7,10H2,1-3H3;4H,2-3H2,1H3;2H,1H3;1H
InChIKeyPBTYXCAFILQIHD-UHFFFAOYSA-N
XLogP2.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(3R)-3-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142616980
(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
CID 174154195
4-methyl-1-(3-methylcyclobutyl)piperidin-4-amine
CID 131134201
4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 158071698
1,4-di(propan-2-yl)piperidin-4-amine
CID 167417701
4-iodo-1-propan-2-ylpiperidin-4-amine
CID 155455763
4-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 146535907
9-methyl-6-propan-2-yl-6-azaspiro[2.6]nonane
CID 156876196
3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943
1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile
CID 79130506
(4-methyl-1-propan-2-ylpiperidin-4-yl)phosphane
CID 175635218
3,5,5-trimethyl-1-propan-2-ylazepane
CID 58110206

Frequently Asked Questions

What is the IUPAC name of methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen?
The IUPAC name of methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen (CID 177204312) is methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen.
What is the SMILES notation for methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen?
The canonical SMILES for methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen is CC(C)N1CCC(C)(N)CC1.CC1CC1.CO.[H][H].
What is the InChIKey of methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen?
The InChIKey is PBTYXCAFILQIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C4H8.CH4O.H2/c1-8(2)11-6-4-9(3,10)5-7-11;1-4-2-3-4;1-2;/h8H,4-7,10H2,1-3H3;4H,2-3H2,1H3;2H,1H3;1H.
What are the key properties of methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen?
methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen has a molecular weight of 246.44 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen is sourced from PubChem (CID 177204312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).