1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol

C16H32N2O — CID 99639323

IUPAC1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCCN(CC2CCCCC2)CC1
InChIInChI=1S/C16H32N2O/c1-16(2,19)14-18-10-6-9-17(11-12-18)13-15-7-4-3-5-8-15/h15,19H,3-14H2,1-2H3
InChIKeyHONPCQJJPYVGKY-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.35
Rot. Bonds4

About 1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol

1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol (PubChem CID 99639323) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol
PubChem CID99639323
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCCN(CC2CCCCC2)CC1
InChIInChI=1S/C16H32N2O/c1-16(2,19)14-18-10-6-9-17(11-12-18)13-15-7-4-3-5-8-15/h15,19H,3-14H2,1-2H3
InChIKeyHONPCQJJPYVGKY-UHFFFAOYSA-N
XLogP2.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol
CID 82929861
2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 111113367
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol
CID 140587728
1-(cyclobutylmethyl)azetidine
CID 89347168
1-(cyclohexylmethyl)piperidine;ethane;ethanol
CID 143571293
1-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64821370
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 62824701
1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne
CID 143571161
1-(cyclohexylmethyl)-4-propylazepane
CID 70936958
1-(cyclohexylmethyl)piperidin-4-ol;trifluoromethanol
CID 157039193
2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine
CID 55141867

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol (CID 99639323) is 1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol?
The InChIKey is HONPCQJJPYVGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-16(2,19)14-18-10-6-9-17(11-12-18)13-15-7-4-3-5-8-15/h15,19H,3-14H2,1-2H3.
What are the key properties of 1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol?
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol has a molecular weight of 268.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 99639323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).