[4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine

C15H29N3 — CID 105365284

IUPAC[4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
SMILESCCCC1CCN(C2(CN)CCN3CCC2C3)C1
InChIInChI=1S/C15H29N3/c1-2-3-13-4-8-18(10-13)15(12-16)6-9-17-7-5-14(15)11-17/h13-14H,2-12,16H2,1H3
InChIKeyZXTRTZJGMHXLAP-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.53
Rot. Bonds4

About [4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine

[4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine (PubChem CID 105365284) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is [4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
PubChem CID105365284
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name[4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
SMILESCCCC1CCN(C2(CN)CCN3CCC2C3)C1
InChIInChI=1S/C15H29N3/c1-2-3-13-4-8-18(10-13)15(12-16)6-9-17-7-5-14(15)11-17/h13-14H,2-12,16H2,1H3
InChIKeyZXTRTZJGMHXLAP-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365192
[4-(3,4-dimethoxypyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 103531788
[2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 113417186
[1-(3-propylpyrrolidin-1-yl)cycloheptyl]methanamine
CID 113417185
[4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365112
2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 105365146
[3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 43584395
[3,4-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 113417179
[4-(5-ethyl-2-methylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365059
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365202
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
CID 65089250
[1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
CID 113417909

Frequently Asked Questions

What is the IUPAC name of [4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The IUPAC name of [4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine (CID 105365284) is [4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine.
What is the SMILES notation for [4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The canonical SMILES for [4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine is CCCC1CCN(C2(CN)CCN3CCC2C3)C1.
What is the InChIKey of [4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The InChIKey is ZXTRTZJGMHXLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-3-13-4-8-18(10-13)15(12-16)6-9-17-7-5-14(15)11-17/h13-14H,2-12,16H2,1H3.
What are the key properties of [4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
[4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine has a molecular weight of 251.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine is sourced from PubChem (CID 105365284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).