4-(cyclohexylmethyl)-1-methylpyrrol-2-amine

C12H20N2 — CID 90288974

IUPAC4-(cyclohexylmethyl)-1-methylpyrrol-2-amine
SMILESCn1cc(CC2CCCCC2)cc1N
InChIInChI=1S/C12H20N2/c1-14-9-11(8-12(14)13)7-10-5-3-2-4-6-10/h8-10H,2-7,13H2,1H3
InChIKeyDTYFJMXCSRWZAH-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.73
Rot. Bonds2

About 4-(cyclohexylmethyl)-1-methylpyrrol-2-amine

4-(cyclohexylmethyl)-1-methylpyrrol-2-amine (PubChem CID 90288974) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-1-methylpyrrol-2-amine.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-1-methylpyrrol-2-amine
PubChem CID90288974
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-(cyclohexylmethyl)-1-methylpyrrol-2-amine
SMILESCn1cc(CC2CCCCC2)cc1N
InChIInChI=1S/C12H20N2/c1-14-9-11(8-12(14)13)7-10-5-3-2-4-6-10/h8-10H,2-7,13H2,1H3
InChIKeyDTYFJMXCSRWZAH-UHFFFAOYSA-N
XLogP2.73
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-1-methylpyrrol-2-amine?
The IUPAC name of 4-(cyclohexylmethyl)-1-methylpyrrol-2-amine (CID 90288974) is 4-(cyclohexylmethyl)-1-methylpyrrol-2-amine.
What is the SMILES notation for 4-(cyclohexylmethyl)-1-methylpyrrol-2-amine?
The canonical SMILES for 4-(cyclohexylmethyl)-1-methylpyrrol-2-amine is Cn1cc(CC2CCCCC2)cc1N.
What is the InChIKey of 4-(cyclohexylmethyl)-1-methylpyrrol-2-amine?
The InChIKey is DTYFJMXCSRWZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-14-9-11(8-12(14)13)7-10-5-3-2-4-6-10/h8-10H,2-7,13H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-1-methylpyrrol-2-amine?
4-(cyclohexylmethyl)-1-methylpyrrol-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-1-methylpyrrol-2-amine is sourced from PubChem (CID 90288974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).