2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol

C8H18N2O2 — CID 129031599

IUPAC2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol
SMILESCC(C)=NCCCC(N)C(O)O
InChIInChI=1S/C8H18N2O2/c1-6(2)10-5-3-4-7(9)8(11)12/h7-8,11-12H,3-5,9H2,1-2H3
InChIKeySXUNHPVBRBIORV-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.11
Rot. Bonds5

About 2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol

2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol (PubChem CID 129031599) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol.

Molecular Properties

Compound Name2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol
PubChem CID129031599
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol
SMILESCC(C)=NCCCC(N)C(O)O
InChIInChI=1S/C8H18N2O2/c1-6(2)10-5-3-4-7(9)8(11)12/h7-8,11-12H,3-5,9H2,1-2H3
InChIKeySXUNHPVBRBIORV-UHFFFAOYSA-N
XLogP-0.11
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-N,4-N-dimethyl-3-[3-(propan-2-ylideneamino)propyl]pentane-2,4-diimine
CID 123867907
2-aminopentadecane-1,1-diol;hydrochloride
CID 173417689
2-aminononadecane-1,1-diol;hydrobromide
CID 175114917
N'-[(5S)-5-amino-6,7,8-trihydroxyoctyl]ethanimidamide
CID 20638021
(2S,3S)-3-amino-7-(1-aminoethylideneamino)-2-hydroxyheptanoic acid
CID 20638014
3-imino-6-(propan-2-ylideneamino)hexan-2-amine
CID 155364820
2-[(4S)-5,5-dihydroxy-4-(methylamino)pentyl]guanidine
CID 126727356
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;acetate
CID 87670814
[1-amino-4-(diaminomethylideneamino)butyl]boronic acid
CID 3482116
3-aminooctan-2-ol
CID 14271184
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
3-aminoicosan-2-ol
CID 19964089

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol?
The IUPAC name of 2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol (CID 129031599) is 2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol.
What is the SMILES notation for 2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol?
The canonical SMILES for 2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol is CC(C)=NCCCC(N)C(O)O.
What is the InChIKey of 2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol?
The InChIKey is SXUNHPVBRBIORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(2)10-5-3-4-7(9)8(11)12/h7-8,11-12H,3-5,9H2,1-2H3.
What are the key properties of 2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol?
2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol has a molecular weight of 174.24 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(propan-2-ylideneamino)pentane-1,1-diol is sourced from PubChem (CID 129031599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).