1-butylpyrrolidin-2-amine

C8H18N2 — CID 152748191

IUPAC1-butylpyrrolidin-2-amine
SMILESCCCCN1CCCC1N
InChIInChI=1S/C8H18N2/c1-2-3-6-10-7-4-5-8(10)9/h8H,2-7,9H2,1H3
InChIKeyDNYQLLGCUZAHGJ-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.17
Rot. Bonds3

About 1-butylpyrrolidin-2-amine

1-butylpyrrolidin-2-amine (PubChem CID 152748191) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-butylpyrrolidin-2-amine.

Molecular Properties

Compound Name1-butylpyrrolidin-2-amine
PubChem CID152748191
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-butylpyrrolidin-2-amine
SMILESCCCCN1CCCC1N
InChIInChI=1S/C8H18N2/c1-2-3-6-10-7-4-5-8(10)9/h8H,2-7,9H2,1H3
InChIKeyDNYQLLGCUZAHGJ-UHFFFAOYSA-N
XLogP1.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
(1-butylazepan-2-yl)methanamine
CID 116640391
1-butyl-3-chloro-2-methylpiperidine
CID 85348788
(2R,3R)-1-butyl-3-chloro-2-methylpiperidine
CID 10997802
(2S,3R)-1-butyl-3-chloro-2-methylpiperidine
CID 10965290
2-ethyl-1-undecylpyrrolidine
CID 171569857
1-butyl-2-ethenylpyrrolidine
CID 11332575
1-butylpyrrolidine-2-carboxamide
CID 19388617
3-(1-pentylpyrrolidin-2-yl)propan-1-amine
CID 63762476
1-butyl-2-ethylpyrrolidine;1-butyl-2-methylpyrrolidine;2-ethyl-1-propylpyrrolidine;2-methyl-1-propylpyrrolidine
CID 174654202
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146

Frequently Asked Questions

What is the IUPAC name of 1-butylpyrrolidin-2-amine?
The IUPAC name of 1-butylpyrrolidin-2-amine (CID 152748191) is 1-butylpyrrolidin-2-amine.
What is the SMILES notation for 1-butylpyrrolidin-2-amine?
The canonical SMILES for 1-butylpyrrolidin-2-amine is CCCCN1CCCC1N.
What is the InChIKey of 1-butylpyrrolidin-2-amine?
The InChIKey is DNYQLLGCUZAHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-3-6-10-7-4-5-8(10)9/h8H,2-7,9H2,1H3.
What are the key properties of 1-butylpyrrolidin-2-amine?
1-butylpyrrolidin-2-amine has a molecular weight of 142.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyrrolidin-2-amine is sourced from PubChem (CID 152748191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).