ethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine

C20H42N2O2 — CID 145139828

IUPACethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine
SMILESCC.CC(C)CC1CC(C)CCC1NCC1CCOCC1.NC=O
InChIInChI=1S/C17H33NO.C2H6.CH3NO/c1-13(2)10-16-11-14(3)4-5-17(16)18-12-15-6-8-19-9-7-15;1-2;2-1-3/h13-18H,4-12H2,1-3H3;1-2H3;1H,(H2,2,3)
InChIKeyKKVUBSHBUFWPGC-UHFFFAOYSA-N
MW342.57 g/mol
LogP3.98
Rot. Bonds5

About ethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine

ethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine (PubChem CID 145139828) has the molecular formula C20H42N2O2 and a molecular weight of 342.57 g/mol. Its IUPAC name is ethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Nameethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine
PubChem CID145139828
Molecular FormulaC20H42N2O2
Molecular Weight342.57 g/mol
Exact Mass342.32
IUPAC Nameethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine
SMILESCC.CC(C)CC1CC(C)CCC1NCC1CCOCC1.NC=O
InChIInChI=1S/C17H33NO.C2H6.CH3NO/c1-13(2)10-16-11-14(3)4-5-17(16)18-12-15-6-8-19-9-7-15;1-2;2-1-3/h13-18H,4-12H2,1-3H3;1-2H3;1H,(H2,2,3)
InChIKeyKKVUBSHBUFWPGC-UHFFFAOYSA-N
XLogP3.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.57
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of ethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine (CID 145139828) is ethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for ethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for ethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine is CC.CC(C)CC1CC(C)CCC1NCC1CCOCC1.NC=O.
What is the InChIKey of ethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is KKVUBSHBUFWPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO.C2H6.CH3NO/c1-13(2)10-16-11-14(3)4-5-17(16)18-12-15-6-8-19-9-7-15;1-2;2-1-3/h13-18H,4-12H2,1-3H3;1-2H3;1H,(H2,2,3).
What are the key properties of ethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine?
ethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 342.57 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formamide;4-methyl-2-(2-methylpropyl)-N-(oxan-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 145139828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).