N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine

C16H32N2O — CID 63827714

IUPACN-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CCOC2CCCCC2)C1
InChIInChI=1S/C16H32N2O/c1-14(2)17-12-15-8-9-18(13-15)10-11-19-16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3
InChIKeyRYGYAWRJZLNQLZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds7

About N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 63827714) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID63827714
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CCOC2CCCCC2)C1
InChIInChI=1S/C16H32N2O/c1-14(2)17-12-15-8-9-18(13-15)10-11-19-16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3
InChIKeyRYGYAWRJZLNQLZ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 63829128
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 63828603
N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63964992
N-[[1-(3-methyl-2-propan-2-ylbutyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 102906427
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine
CID 62512571
1-(2-cyclohexyloxyethyl)-N-methylpiperidin-4-amine
CID 63827361
N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]ethyl]cyclopropanamine
CID 62975746
N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 79358464
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
N-[(1-heptylpiperidin-4-yl)methyl]propan-2-amine
CID 62591501
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
CID 63405022
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 63827714) is N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(CCOC2CCCCC2)C1.
What is the InChIKey of N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is RYGYAWRJZLNQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)17-12-15-8-9-18(13-15)10-11-19-16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63827714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).