4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol

C13H28N2O — CID 62624803

IUPAC4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol
SMILESCN1CCCN(CCC(O)C(C)(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)12(16)6-9-15-8-5-7-14(4)10-11-15/h12,16H,5-11H2,1-4H3
InChIKeyYOHPPGKTKMWJGO-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.42
Rot. Bonds3

About 4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol

4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol (PubChem CID 62624803) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol
PubChem CID62624803
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol
SMILESCN1CCCN(CCC(O)C(C)(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)12(16)6-9-15-8-5-7-14(4)10-11-15/h12,16H,5-11H2,1-4H3
InChIKeyYOHPPGKTKMWJGO-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-morpholin-4-ylpentan-3-ol
CID 62622858
1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623930
4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol
CID 62625148
1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623574
2-(methylamino)-4-(4-methyl-1,4-diazepan-1-yl)butanenitrile
CID 63029852
4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-one
CID 62624586
1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 63169311
1-methyl-4-(pyrrolidin-1-ylmethyl)-1,4-diazepane
CID 18541096
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229
1-methyl-4-(2-methylpropyl)-1,4-diazepane
CID 58719890
4-(4-methyl-1,4-diazepan-1-yl)butan-2-one
CID 28830199
6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
CID 107704779

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol?
The IUPAC name of 4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol (CID 62624803) is 4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol?
The canonical SMILES for 4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol is CN1CCCN(CCC(O)C(C)(C)C)CC1.
What is the InChIKey of 4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol?
The InChIKey is YOHPPGKTKMWJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)12(16)6-9-15-8-5-7-14(4)10-11-15/h12,16H,5-11H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol?
4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol is sourced from PubChem (CID 62624803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).