N-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine

C15H31NO — CID 55036749

IUPACN-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine
SMILESCCC1CCC(CNC(C)C)(OC(C)C)CC1
InChIInChI=1S/C15H31NO/c1-6-14-7-9-15(10-8-14,17-13(4)5)11-16-12(2)3/h12-14,16H,6-11H2,1-5H3
InChIKeyZVEKHLZRAUOHSB-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds6

About N-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine

N-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine (PubChem CID 55036749) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine
PubChem CID55036749
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine
SMILESCCC1CCC(CNC(C)C)(OC(C)C)CC1
InChIInChI=1S/C15H31NO/c1-6-14-7-9-15(10-8-14,17-13(4)5)11-16-12(2)3/h12-14,16H,6-11H2,1-5H3
InChIKeyZVEKHLZRAUOHSB-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine (CID 55036749) is N-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine is CCC1CCC(CNC(C)C)(OC(C)C)CC1.
What is the InChIKey of N-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine?
The InChIKey is ZVEKHLZRAUOHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-14-7-9-15(10-8-14,17-13(4)5)11-16-12(2)3/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine?
N-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 55036749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).