(3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine

C15H26N4 — CID 72862184

IUPAC(3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine
SMILESCCCCc1ncc(CN2C[C@H](C3CC3)[C@@H](N)C2)[nH]1
InChIInChI=1S/C15H26N4/c1-2-3-4-15-17-7-12(18-15)8-19-9-13(11-5-6-11)14(16)10-19/h7,11,13-14H,2-6,8-10,16H2,1H3,(H,17,18)/t13-,14+/m1/s1
InChIKeyKBKSMBYDUOLUPP-KGLIPLIRSA-N
MW262.40 g/mol
LogP1.92
Rot. Bonds6

About (3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine

(3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine (PubChem CID 72862184) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine
PubChem CID72862184
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine
SMILESCCCCc1ncc(CN2C[C@H](C3CC3)[C@@H](N)C2)[nH]1
InChIInChI=1S/C15H26N4/c1-2-3-4-15-17-7-12(18-15)8-19-9-13(11-5-6-11)14(16)10-19/h7,11,13-14H,2-6,8-10,16H2,1H3,(H,17,18)/t13-,14+/m1/s1
InChIKeyKBKSMBYDUOLUPP-KGLIPLIRSA-N
XLogP1.92
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine (CID 72862184) is (3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine is CCCCc1ncc(CN2C[C@H](C3CC3)[C@@H](N)C2)[nH]1.
What is the InChIKey of (3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine?
The InChIKey is KBKSMBYDUOLUPP-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H26N4/c1-2-3-4-15-17-7-12(18-15)8-19-9-13(11-5-6-11)14(16)10-19/h7,11,13-14H,2-6,8-10,16H2,1H3,(H,17,18)/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine?
(3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 72862184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).