4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine

C16H28N2 — CID 60664775

IUPAC4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2ccc[nH]2)CC1
InChIInChI=1S/C16H28N2/c1-4-16(2,3)13-7-9-14(10-8-13)18-12-15-6-5-11-17-15/h5-6,11,13-14,17-18H,4,7-10,12H2,1-3H3
InChIKeyTXESIOZVLDSFGV-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.10
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine (PubChem CID 60664775) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
PubChem CID60664775
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2ccc[nH]2)CC1
InChIInChI=1S/C16H28N2/c1-4-16(2,3)13-7-9-14(10-8-13)18-12-15-6-5-11-17-15/h5-6,11,13-14,17-18H,4,7-10,12H2,1-3H3
InChIKeyTXESIOZVLDSFGV-UHFFFAOYSA-N
XLogP4.10
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine (CID 60664775) is 4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NCc2ccc[nH]2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is TXESIOZVLDSFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-16(2,3)13-7-9-14(10-8-13)18-12-15-6-5-11-17-15/h5-6,11,13-14,17-18H,4,7-10,12H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 60664775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).