(5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine

C11H22N2 — CID 115486286

IUPAC(5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine
SMILESC=CCCCN1CC(CN)CC1C
InChIInChI=1S/C11H22N2/c1-3-4-5-6-13-9-11(8-12)7-10(13)2/h3,10-11H,1,4-9,12H2,2H3
InChIKeyLFTMESYIBYGVFH-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.62
Rot. Bonds5

About (5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine

(5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine (PubChem CID 115486286) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine
PubChem CID115486286
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine
SMILESC=CCCCN1CC(CN)CC1C
InChIInChI=1S/C11H22N2/c1-3-4-5-6-13-9-11(8-12)7-10(13)2/h3,10-11H,1,4-9,12H2,2H3
InChIKeyLFTMESYIBYGVFH-UHFFFAOYSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine
CID 130892102
(5-methyl-1-propylpyrrolidin-3-yl)methanamine
CID 115486103
[5-methyl-1-(3-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 113319943
[1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine
CID 115486246
[5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 115486200
(1-hept-6-enyl-4-methylpiperazin-2-yl)methanamine
CID 107008055
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120966626
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120966625
(6-methyl-1-octylpiperidin-3-yl)methanamine
CID 55211233
[1-[2-(4-ethoxyphenoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486226
(1-hept-6-enyl-3-methylpiperidin-2-yl)methanamine
CID 107008015
[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-pent-4-enylpyrrolidin-3-yl)methanamine?
The IUPAC name of (5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine (CID 115486286) is (5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine is C=CCCCN1CC(CN)CC1C.
What is the InChIKey of (5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine?
The InChIKey is LFTMESYIBYGVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-4-5-6-13-9-11(8-12)7-10(13)2/h3,10-11H,1,4-9,12H2,2H3.
What are the key properties of (5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine?
(5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine has a molecular weight of 182.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 115486286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).