1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide

C16H32N2O2 — CID 106350018

IUPAC1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NC(CCO)C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-12-5-8-16(11-17,9-6-12)14(20)18-13(7-10-19)15(2,3)4/h12-13,19H,5-11,17H2,1-4H3,(H,18,20)
InChIKeyPDTCSSIOQJYNBM-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.05
Rot. Bonds5

About 1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 106350018) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID106350018
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NC(CCO)C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-12-5-8-16(11-17,9-6-12)14(20)18-13(7-10-19)15(2,3)4/h12-13,19H,5-11,17H2,1-4H3,(H,18,20)
InChIKeyPDTCSSIOQJYNBM-UHFFFAOYSA-N
XLogP2.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide (CID 106350018) is 1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)NC(CCO)C(C)(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is PDTCSSIOQJYNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12-5-8-16(11-17,9-6-12)14(20)18-13(7-10-19)15(2,3)4/h12-13,19H,5-11,17H2,1-4H3,(H,18,20).
What are the key properties of 1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 284.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106350018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).