N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine

C16H32N2O — CID 79540247

IUPACN-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
SMILESCC(CC1CCCN1)NCCCOC1CCCCC1
InChIInChI=1S/C16H32N2O/c1-14(13-15-7-5-10-18-15)17-11-6-12-19-16-8-3-2-4-9-16/h14-18H,2-13H2,1H3
InChIKeyXCJTWSVMHSRPOD-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.85
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine

N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 79540247) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID79540247
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
SMILESCC(CC1CCCN1)NCCCOC1CCCCC1
InChIInChI=1S/C16H32N2O/c1-14(13-15-7-5-10-18-15)17-11-6-12-19-16-8-3-2-4-9-16/h14-18H,2-13H2,1H3
InChIKeyXCJTWSVMHSRPOD-UHFFFAOYSA-N
XLogP2.85
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentyloxyethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79539845
N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541660
1-(azepan-2-yl)-N-(3-ethenoxypropyl)propan-2-amine
CID 79560276
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
CID 79540929
N-(3-cyclohexyloxypropyl)-1-cyclopropylpropan-2-amine
CID 115707843
N-[1-(azepan-2-yl)propan-2-yl]-4-methoxybutan-1-amine
CID 79560965
4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
CID 79541172
5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724
1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine
CID 79560725
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
(2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine
CID 125443596

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine (CID 79540247) is N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine is CC(CC1CCCN1)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is XCJTWSVMHSRPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(13-15-7-5-10-18-15)17-11-6-12-19-16-8-3-2-4-9-16/h14-18H,2-13H2,1H3.
What are the key properties of N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine?
N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 268.44 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 79540247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).