N-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine

C18H30N2O — CID 63455455

IUPACN-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NC1CCCCC1C(C)(C)C
InChIInChI=1S/C18H30N2O/c1-13(2)21-17-16(11-8-12-19-17)20-15-10-7-6-9-14(15)18(3,4)5/h8,11-15,20H,6-7,9-10H2,1-5H3
InChIKeyVSWBXVDMAFHCJN-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.89
Rot. Bonds4

About N-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine

N-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine (PubChem CID 63455455) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine
PubChem CID63455455
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NC1CCCCC1C(C)(C)C
InChIInChI=1S/C18H30N2O/c1-13(2)21-17-16(11-8-12-19-17)20-15-10-7-6-9-14(15)18(3,4)5/h8,11-15,20H,6-7,9-10H2,1-5H3
InChIKeyVSWBXVDMAFHCJN-UHFFFAOYSA-N
XLogP4.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine (CID 63455455) is N-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine is CC(C)Oc1ncccc1NC1CCCCC1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine?
The InChIKey is VSWBXVDMAFHCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)21-17-16(11-8-12-19-17)20-15-10-7-6-9-14(15)18(3,4)5/h8,11-15,20H,6-7,9-10H2,1-5H3.
What are the key properties of N-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine?
N-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 63455455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).