1-(1,4-diazepan-1-yl)propan-1-ol

C8H18N2O — CID 70607073

IUPAC1-(1,4-diazepan-1-yl)propan-1-ol
SMILESCCC(O)N1CCCNCC1
InChIInChI=1S/C8H18N2O/c1-2-8(11)10-6-3-4-9-5-7-10/h8-9,11H,2-7H2,1H3
InChIKeyMGHNKFVKOVRYHG-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.01
Rot. Bonds2

About 1-(1,4-diazepan-1-yl)propan-1-ol

1-(1,4-diazepan-1-yl)propan-1-ol (PubChem CID 70607073) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1,4-diazepan-1-yl)propan-1-ol
PubChem CID70607073
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-(1,4-diazepan-1-yl)propan-1-ol
SMILESCCC(O)N1CCCNCC1
InChIInChI=1S/C8H18N2O/c1-2-8(11)10-6-3-4-9-5-7-10/h8-9,11H,2-7H2,1H3
InChIKeyMGHNKFVKOVRYHG-UHFFFAOYSA-N
XLogP0.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol
CID 175348345
2-(1,4-diazepan-1-yl)butanoic acid
CID 60992815
ethyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319156
methyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319155
2-(1,4-diazepan-1-yl)hexan-1-ol
CID 61352767
1-[(2S)-1-ethylsulfanylpropan-2-yl]-1,4-diazepane
CID 124594878
1-octan-2-yl-1,4-diazepane
CID 61057071
1-(1-bromopropyl)piperazine
CID 135292234
1-(1-fluoropropyl)piperazine
CID 91569783
methyl 2-(1,4-diazepan-1-yl)pentanoate
CID 60993244
1-(1-pyridin-4-ylpropyl)-1,4-diazepane
CID 3349010
3-piperazin-1-ylpentan-2-one
CID 68969032

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-yl)propan-1-ol?
The IUPAC name of 1-(1,4-diazepan-1-yl)propan-1-ol (CID 70607073) is 1-(1,4-diazepan-1-yl)propan-1-ol.
What is the SMILES notation for 1-(1,4-diazepan-1-yl)propan-1-ol?
The canonical SMILES for 1-(1,4-diazepan-1-yl)propan-1-ol is CCC(O)N1CCCNCC1.
What is the InChIKey of 1-(1,4-diazepan-1-yl)propan-1-ol?
The InChIKey is MGHNKFVKOVRYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-8(11)10-6-3-4-9-5-7-10/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-(1,4-diazepan-1-yl)propan-1-ol?
1-(1,4-diazepan-1-yl)propan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-1-yl)propan-1-ol is sourced from PubChem (CID 70607073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).