8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C18H35N3 — CID 83114315

IUPAC8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2CC1(N(C)C)CCCC1
InChIInChI=1S/C18H35N3/c1-4-11-19-15-12-16-7-8-17(13-15)21(16)14-18(20(2)3)9-5-6-10-18/h15-17,19H,4-14H2,1-3H3
InChIKeyRTOOQSCDXLNBEK-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.86
Rot. Bonds6

About 8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 83114315) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID83114315
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2CC1(N(C)C)CCCC1
InChIInChI=1S/C18H35N3/c1-4-11-19-15-12-16-7-8-17(13-15)21(16)14-18(20(2)3)9-5-6-10-18/h15-17,19H,4-14H2,1-3H3
InChIKeyRTOOQSCDXLNBEK-UHFFFAOYSA-N
XLogP2.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[[1-(dimethylamino)cyclobutyl]methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 105420533
9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63831060
N-[[1-(dimethylamino)cyclopentyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83108296
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740031
9-[(3-methoxyoxolan-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 104766000
8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106138
8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83024323
8-(2-methylcyclopentyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63281615
8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739990
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986

Frequently Asked Questions

What is the IUPAC name of 8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 83114315) is 8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2CC1(N(C)C)CCCC1.
What is the InChIKey of 8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is RTOOQSCDXLNBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-4-11-19-15-12-16-7-8-17(13-15)21(16)14-18(20(2)3)9-5-6-10-18/h15-17,19H,4-14H2,1-3H3.
What are the key properties of 8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 293.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 83114315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).