N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

C16H30N2O — CID 106640288

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCC1(C)CCC(CN(CC2CCCNC2)C2CC2)O1
InChIInChI=1S/C16H30N2O/c1-16(2)8-7-15(19-16)12-18(14-5-6-14)11-13-4-3-9-17-10-13/h13-15,17H,3-12H2,1-2H3
InChIKeyCCWZIUWVQGZPJV-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds5

About N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106640288) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106640288
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCC1(C)CCC(CN(CC2CCCNC2)C2CC2)O1
InChIInChI=1S/C16H30N2O/c1-16(2)8-7-15(19-16)12-18(14-5-6-14)11-13-4-3-9-17-10-13/h13-15,17H,3-12H2,1-2H3
InChIKeyCCWZIUWVQGZPJV-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethylpiperidin-3-amine
CID 116522873
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylpiperidin-4-amine
CID 116522849
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-propylazetidin-3-amine
CID 116522896
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol
CID 106640266
N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 106637126
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639574
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825
N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624769
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639978

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106640288) is N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is CC1(C)CCC(CN(CC2CCCNC2)C2CC2)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is CCWZIUWVQGZPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2)8-7-15(19-16)12-18(14-5-6-14)11-13-4-3-9-17-10-13/h13-15,17H,3-12H2,1-2H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106640288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).