2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine

C18H37NO — CID 106708589

IUPAC2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine
SMILESCC1CCC(C(C)C)C(OCCCCC(C)(C)CN)C1
InChIInChI=1S/C18H37NO/c1-14(2)16-9-8-15(3)12-17(16)20-11-7-6-10-18(4,5)13-19/h14-17H,6-13,19H2,1-5H3
InChIKeyDZKOHPNTKOWQBC-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.62
Rot. Bonds8

About 2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine

2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine (PubChem CID 106708589) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine
PubChem CID106708589
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine
SMILESCC1CCC(C(C)C)C(OCCCCC(C)(C)CN)C1
InChIInChI=1S/C18H37NO/c1-14(2)16-9-8-15(3)12-17(16)20-11-7-6-10-18(4,5)13-19/h14-17H,6-13,19H2,1-5H3
InChIKeyDZKOHPNTKOWQBC-UHFFFAOYSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.62
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 2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine (CID 106708589) is 2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine is CC1CCC(C(C)C)C(OCCCCC(C)(C)CN)C1.
What is the InChIKey of 2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine?
The InChIKey is DZKOHPNTKOWQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-14(2)16-9-8-15(3)12-17(16)20-11-7-6-10-18(4,5)13-19/h14-17H,6-13,19H2,1-5H3.
What are the key properties of 2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine?
2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine is sourced from PubChem (CID 106708589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).