(5-methyl-1-propylpyrrolidin-3-yl)methanamine

C9H20N2 — CID 115486103

IUPAC(5-methyl-1-propylpyrrolidin-3-yl)methanamine
SMILESCCCN1CC(CN)CC1C
InChIInChI=1S/C9H20N2/c1-3-4-11-7-9(6-10)5-8(11)2/h8-9H,3-7,10H2,1-2H3
InChIKeyBUVQUKHHEPZITI-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.07
Rot. Bonds3

About (5-methyl-1-propylpyrrolidin-3-yl)methanamine

(5-methyl-1-propylpyrrolidin-3-yl)methanamine (PubChem CID 115486103) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (5-methyl-1-propylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-1-propylpyrrolidin-3-yl)methanamine
PubChem CID115486103
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(5-methyl-1-propylpyrrolidin-3-yl)methanamine
SMILESCCCN1CC(CN)CC1C
InChIInChI=1S/C9H20N2/c1-3-4-11-7-9(6-10)5-8(11)2/h8-9H,3-7,10H2,1-2H3
InChIKeyBUVQUKHHEPZITI-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine
CID 130892102
[1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine
CID 115486246
(5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine
CID 115486286
[5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 115486200
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120966626
[1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486226
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120966625
[5-methyl-1-(3-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 113319943
(6-methyl-1-octylpiperidin-3-yl)methanamine
CID 55211233
4-methoxy-2-methyl-1-propylpyrrolidine
CID 59733967
[5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 113319953
[1-[2-(4-tert-butylphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486086

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propylpyrrolidin-3-yl)methanamine?
The IUPAC name of (5-methyl-1-propylpyrrolidin-3-yl)methanamine (CID 115486103) is (5-methyl-1-propylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (5-methyl-1-propylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (5-methyl-1-propylpyrrolidin-3-yl)methanamine is CCCN1CC(CN)CC1C.
What is the InChIKey of (5-methyl-1-propylpyrrolidin-3-yl)methanamine?
The InChIKey is BUVQUKHHEPZITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-4-11-7-9(6-10)5-8(11)2/h8-9H,3-7,10H2,1-2H3.
What are the key properties of (5-methyl-1-propylpyrrolidin-3-yl)methanamine?
(5-methyl-1-propylpyrrolidin-3-yl)methanamine has a molecular weight of 156.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 115486103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).