3,5-diaminopentan-1-ol;hydrobromide

C5H15BrN2O — CID 175509083

IUPAC3,5-diaminopentan-1-ol;hydrobromide
SMILESBr.NCCC(N)CCO
InChIInChI=1S/C5H14N2O.BrH/c6-3-1-5(7)2-4-8;/h5,8H,1-4,6-7H2;1H
InChIKeyQGIGCIGGQPAZNA-UHFFFAOYSA-N
MW199.09 g/mol
LogP-0.38
Rot. Bonds4

About 3,5-diaminopentan-1-ol;hydrobromide

3,5-diaminopentan-1-ol;hydrobromide (PubChem CID 175509083) has the molecular formula C5H15BrN2O and a molecular weight of 199.09 g/mol. Its IUPAC name is 3,5-diaminopentan-1-ol;hydrobromide.

Molecular Properties

Compound Name3,5-diaminopentan-1-ol;hydrobromide
PubChem CID175509083
Molecular FormulaC5H15BrN2O
Molecular Weight199.09 g/mol
Exact Mass198.04
IUPAC Name3,5-diaminopentan-1-ol;hydrobromide
SMILESBr.NCCC(N)CCO
InChIInChI=1S/C5H14N2O.BrH/c6-3-1-5(7)2-4-8;/h5,8H,1-4,6-7H2;1H
InChIKeyQGIGCIGGQPAZNA-UHFFFAOYSA-N
XLogP-0.38
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.09
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1,3-diaminopropan-1-ol
CID 10419133
(3S)-3-aminohexan-1-ol;sulfane;hydrochloride
CID 161031770
3-aminononan-1-ol;hydrochloride
CID 55255753
3,5-diaminopentane-1-sulfonic acid
CID 87163288
5-amino-7-hydroxyheptan-2-one
CID 175205558
ethane;(5R)-heptane-1,3,5,7-tetramine
CID 142330050
4-bromobutane-1,3-diamine
CID 12531074
5,8,10-triaminodecan-2-one
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3-amino-5-(3-hydroxypropylamino)pentan-1-ol
CID 87783733

Frequently Asked Questions

What is the IUPAC name of 3,5-diaminopentan-1-ol;hydrobromide?
The IUPAC name of 3,5-diaminopentan-1-ol;hydrobromide (CID 175509083) is 3,5-diaminopentan-1-ol;hydrobromide.
What is the SMILES notation for 3,5-diaminopentan-1-ol;hydrobromide?
The canonical SMILES for 3,5-diaminopentan-1-ol;hydrobromide is Br.NCCC(N)CCO.
What is the InChIKey of 3,5-diaminopentan-1-ol;hydrobromide?
The InChIKey is QGIGCIGGQPAZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O.BrH/c6-3-1-5(7)2-4-8;/h5,8H,1-4,6-7H2;1H.
What are the key properties of 3,5-diaminopentan-1-ol;hydrobromide?
3,5-diaminopentan-1-ol;hydrobromide has a molecular weight of 199.09 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diaminopentan-1-ol;hydrobromide is sourced from PubChem (CID 175509083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).