2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol

C8H18N2O3 — CID 142648626

IUPAC2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol
SMILESNCCCC[C@H](N)C1(O)OCCO1
InChIInChI=1S/C8H18N2O3/c9-4-2-1-3-7(10)8(11)12-5-6-13-8/h7,11H,1-6,9-10H2/t7-/m0/s1
InChIKeyAXSHKPKGIGCETP-ZETCQYMHSA-N
MW190.24 g/mol
LogP-0.86
Rot. Bonds5

About 2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol

2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol (PubChem CID 142648626) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol.

Molecular Properties

Compound Name2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol
PubChem CID142648626
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol
SMILESNCCCC[C@H](N)C1(O)OCCO1
InChIInChI=1S/C8H18N2O3/c9-4-2-1-3-7(10)8(11)12-5-6-13-8/h7,11H,1-6,9-10H2/t7-/m0/s1
InChIKeyAXSHKPKGIGCETP-ZETCQYMHSA-N
XLogP-0.86
TPSA90.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

14-aminotetradecane-1,1-diol;oxirane
CID 87370530
1-[4-(1,4-diaminobutyl)oxan-4-yl]ethanone
CID 67764149
pentacosane-1,13,25-triamine
CID 174653759
1,6-diaminohexan-1-ol
CID 57008257
octane-1,4,8-triamine
CID 18544198
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octadecane-1,6,7,18-tetramine
CID 56630973
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889
3-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 54127430
3,7-diaminoheptan-2-one;dihydrochloride
CID 12769839
(3R)-7-amino-3-methylheptan-2-ol
CID 126613359
[(1R)-1,5-diaminopentyl]boronic acid
CID 5287803

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol?
The IUPAC name of 2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol (CID 142648626) is 2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol.
What is the SMILES notation for 2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol?
The canonical SMILES for 2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol is NCCCC[C@H](N)C1(O)OCCO1.
What is the InChIKey of 2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol?
The InChIKey is AXSHKPKGIGCETP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O3/c9-4-2-1-3-7(10)8(11)12-5-6-13-8/h7,11H,1-6,9-10H2/t7-/m0/s1.
What are the key properties of 2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol?
2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol has a molecular weight of 190.24 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1,5-diaminopentyl]-1,3-dioxolan-2-ol is sourced from PubChem (CID 142648626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).