N-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine

C18H37NO — CID 123747559

IUPACN-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine
SMILESCCCCCOC1C(C)CCC(CCNC(C)C)C1C
InChIInChI=1S/C18H37NO/c1-6-7-8-13-20-18-15(4)9-10-17(16(18)5)11-12-19-14(2)3/h14-19H,6-13H2,1-5H3
InChIKeyXBSUQLAOLWODHM-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.63
Rot. Bonds9

About N-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine

N-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine (PubChem CID 123747559) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine
PubChem CID123747559
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine
SMILESCCCCCOC1C(C)CCC(CCNC(C)C)C1C
InChIInChI=1S/C18H37NO/c1-6-7-8-13-20-18-15(4)9-10-17(16(18)5)11-12-19-14(2)3/h14-19H,6-13H2,1-5H3
InChIKeyXBSUQLAOLWODHM-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine (CID 123747559) is N-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine is CCCCCOC1C(C)CCC(CCNC(C)C)C1C.
What is the InChIKey of N-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine?
The InChIKey is XBSUQLAOLWODHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-7-8-13-20-18-15(4)9-10-17(16(18)5)11-12-19-14(2)3/h14-19H,6-13H2,1-5H3.
What are the key properties of N-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine?
N-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-3-pentoxycyclohexyl)ethyl]propan-2-amine is sourced from PubChem (CID 123747559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).