2-(1,4-diazepan-1-yl)hexan-1-ol

C11H24N2O — CID 61352767

IUPAC2-(1,4-diazepan-1-yl)hexan-1-ol
SMILESCCCCC(CO)N1CCCNCC1
InChIInChI=1S/C11H24N2O/c1-2-3-5-11(10-14)13-8-4-6-12-7-9-13/h11-12,14H,2-10H2,1H3
InChIKeyGNONSHKOPZXANW-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)hexan-1-ol

2-(1,4-diazepan-1-yl)hexan-1-ol (PubChem CID 61352767) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)hexan-1-ol.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)hexan-1-ol
PubChem CID61352767
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-(1,4-diazepan-1-yl)hexan-1-ol
SMILESCCCCC(CO)N1CCCNCC1
InChIInChI=1S/C11H24N2O/c1-2-3-5-11(10-14)13-8-4-6-12-7-9-13/h11-12,14H,2-10H2,1H3
InChIKeyGNONSHKOPZXANW-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hexan-2-yl-1,5-diazocane
CID 62200653
2-(1,4-diazepan-1-yl)hexanenitrile
CID 61353151
1-oct-1-en-4-ylpiperazine
CID 66656053
1-octan-2-yl-1,4-diazepane
CID 61057071
(3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol
CID 151920870
1-[(4R)-octan-4-yl]azetidine
CID 170061956
1-heptan-3-ylazetidine
CID 172721722
1-(1,4-diazepan-1-yl)propan-1-ol
CID 70607073
1-(1-phenylhexan-2-yl)piperazine
CID 67652874
1-[(3R)-hexan-3-yl]piperazine
CID 94350939
1-octan-4-ylazonane
CID 123427772
methane;1-octan-4-ylpiperidine
CID 143122058

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)hexan-1-ol?
The IUPAC name of 2-(1,4-diazepan-1-yl)hexan-1-ol (CID 61352767) is 2-(1,4-diazepan-1-yl)hexan-1-ol.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)hexan-1-ol?
The canonical SMILES for 2-(1,4-diazepan-1-yl)hexan-1-ol is CCCCC(CO)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)hexan-1-ol?
The InChIKey is GNONSHKOPZXANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-3-5-11(10-14)13-8-4-6-12-7-9-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-(1,4-diazepan-1-yl)hexan-1-ol?
2-(1,4-diazepan-1-yl)hexan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)hexan-1-ol is sourced from PubChem (CID 61352767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).