2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine

C19H37NO — CID 139652113

IUPAC2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H37NO/c1-16(2)20-14-19(15-21-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h16-18,20H,4-15H2,1-3H3
InChIKeyUNFZKVGTPFKLAZ-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.78
Rot. Bonds7

About 2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine

2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine (PubChem CID 139652113) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine
PubChem CID139652113
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H37NO/c1-16(2)20-14-19(15-21-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h16-18,20H,4-15H2,1-3H3
InChIKeyUNFZKVGTPFKLAZ-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine (CID 139652113) is 2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine is COCC(CNC(C)C)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine?
The InChIKey is UNFZKVGTPFKLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-16(2)20-14-19(15-21-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h16-18,20H,4-15H2,1-3H3.
What are the key properties of 2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine?
2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 139652113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).