N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine

C15H26N2 — CID 97323045

IUPACN-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine
SMILESC[C@H](CCc1cccn1C)NC1CCCCC1
InChIInChI=1S/C15H26N2/c1-13(16-14-7-4-3-5-8-14)10-11-15-9-6-12-17(15)2/h6,9,12-14,16H,3-5,7-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyHYOWFTFSQLADIZ-CYBMUJFWSA-N
MW234.39 g/mol
LogP3.27
Rot. Bonds5

About N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine

N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine (PubChem CID 97323045) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine
PubChem CID97323045
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine
SMILESC[C@H](CCc1cccn1C)NC1CCCCC1
InChIInChI=1S/C15H26N2/c1-13(16-14-7-4-3-5-8-14)10-11-15-9-6-12-17(15)2/h6,9,12-14,16H,3-5,7-8,10-11H2,1-2H3/t13-/m1/s1
InChIKeyHYOWFTFSQLADIZ-CYBMUJFWSA-N
XLogP3.27
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
2-Propylpyridine
CID 69320
2-Pentylpyridine
CID 16800
2-Butylpyridine
CID 78750
2-(2-Pyrrolidinoethyl)pyridine
CID 238317
2-Hexylpyridine
CID 70797
(R)-Nornicotine
CID 93047
Betahistine Hydrochloride
CID 68643
2-(1H-pyrrol-1-yl)aniline
CID 80123

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine?
The IUPAC name of N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine (CID 97323045) is N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine.
What is the SMILES notation for N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine?
The canonical SMILES for N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine is C[C@H](CCc1cccn1C)NC1CCCCC1.
What is the InChIKey of N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine?
The InChIKey is HYOWFTFSQLADIZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(16-14-7-4-3-5-8-14)10-11-15-9-6-12-17(15)2/h6,9,12-14,16H,3-5,7-8,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine?
N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine has a molecular weight of 234.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine is sourced from PubChem (CID 97323045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).