N-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine

C18H35N3 — CID 56717118

IUPACN-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCCCN1CCC(CNC2CCC3(CCNCC3)CC2)C1
InChIInChI=1S/C18H35N3/c1-2-12-21-13-5-16(15-21)14-20-17-3-6-18(7-4-17)8-10-19-11-9-18/h16-17,19-20H,2-15H2,1H3
InChIKeyJARLZMZHYLFSEB-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.62
Rot. Bonds5

About N-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine

N-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56717118) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
PubChem CID56717118
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCCCN1CCC(CNC2CCC3(CCNCC3)CC2)C1
InChIInChI=1S/C18H35N3/c1-2-12-21-13-5-16(15-21)14-20-17-3-6-18(7-4-17)8-10-19-11-9-18/h16-17,19-20H,2-15H2,1H3
InChIKeyJARLZMZHYLFSEB-UHFFFAOYSA-N
XLogP2.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Methylpyrrolidin-2-yl)piperidine
CID 219458
N-[1-(2-cyclohexylethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389041
N-[1-(cyclohexylmethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389022
3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N-methylpropan-1-amine
CID 9904210
1-Methyl-3-(pyrrolidin-2-yl)piperidine
CID 4020197
(2-Propan-2-yl-2-azaspiro[4.5]decan-4-yl)methanamine
CID 124052739
N,N-dimethyl-3-azaspiro[5.5]undecan-9-amine
CID 58101781
N-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 176823991
4-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
CID 78893004
N-(4,4-diethylcyclohexyl)-1-(2,2-difluoroethyl)piperidin-4-amine
CID 154745717
9-(2-Methyl-2,7-diazaspiro[4.5]dec-7-yl)-3-azaspiro[5.5]undecane
CID 56739556
8,8-Diethyl-2-piperidin-4-yl-2-azaspiro[4.5]decane
CID 9817111

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine (CID 56717118) is N-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine is CCCN1CCC(CNC2CCC3(CCNCC3)CC2)C1.
What is the InChIKey of N-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is JARLZMZHYLFSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-2-12-21-13-5-16(15-21)14-20-17-3-6-18(7-4-17)8-10-19-11-9-18/h16-17,19-20H,2-15H2,1H3.
What are the key properties of N-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
N-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 293.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrolidin-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56717118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).