2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine

C13H22N2 — CID 79861656

IUPAC2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1ccc[nH]1
InChIInChI=1S/C13H22N2/c1-13(2)8-4-3-7-12(13)15-10-11-6-5-9-14-11/h5-6,9,12,14-15H,3-4,7-8,10H2,1-2H3
InChIKeyBRPVSSZFOCZGQR-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.07
Rot. Bonds3

About 2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine

2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine (PubChem CID 79861656) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
PubChem CID79861656
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1ccc[nH]1
InChIInChI=1S/C13H22N2/c1-13(2)8-4-3-7-12(13)15-10-11-6-5-9-14-11/h5-6,9,12,14-15H,3-4,7-8,10H2,1-2H3
InChIKeyBRPVSSZFOCZGQR-UHFFFAOYSA-N
XLogP3.07
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine (CID 79861656) is 2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine is CC1(C)CCCCC1NCc1ccc[nH]1.
What is the InChIKey of 2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is BRPVSSZFOCZGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-13(2)8-4-3-7-12(13)15-10-11-6-5-9-14-11/h5-6,9,12,14-15H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine?
2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 79861656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).