N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine

C17H31NO — CID 116523829

IUPACN-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine
SMILESCC1(C)CCC(CC(CNC2CC2)C2CCCC2)O1
InChIInChI=1S/C17H31NO/c1-17(2)10-9-16(19-17)11-14(12-18-15-7-8-15)13-5-3-4-6-13/h13-16,18H,3-12H2,1-2H3
InChIKeyKHKGELFGFSJJNL-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds6

About N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine

N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine (PubChem CID 116523829) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine
PubChem CID116523829
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine
SMILESCC1(C)CCC(CC(CNC2CC2)C2CCCC2)O1
InChIInChI=1S/C17H31NO/c1-17(2)10-9-16(19-17)11-14(12-18-15-7-8-15)13-5-3-4-6-13/h13-16,18H,3-12H2,1-2H3
InChIKeyKHKGELFGFSJJNL-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 116523832
2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine
CID 102900542
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 116523643
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 116523573
N-(2-cyclohexyl-4-methylpentyl)cyclopropanamine
CID 82931479
1-(5,5-dimethyloxolan-2-yl)-N-ethylpropan-2-amine
CID 116524133
N-[(5,5-dimethyloxolan-2-yl)methyl]oxan-4-amine
CID 116521230
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 116523803
5-(3-chloro-2-methylpropyl)-2,2-dimethyloxolane
CID 116525177
1-(5,5-dimethyloxolan-2-yl)butan-2-amine
CID 116524943

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine (CID 116523829) is N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine is CC1(C)CCC(CC(CNC2CC2)C2CCCC2)O1.
What is the InChIKey of N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine?
The InChIKey is KHKGELFGFSJJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-17(2)10-9-16(19-17)11-14(12-18-15-7-8-15)13-5-3-4-6-13/h13-16,18H,3-12H2,1-2H3.
What are the key properties of N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine?
N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine has a molecular weight of 265.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)propyl]cyclopropanamine is sourced from PubChem (CID 116523829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).