(Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol

C9H21N3O2 — CID 145119581

IUPAC(Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol
SMILESCC/C(N)=C(\CO)N(N)CC(O)CC
InChIInChI=1S/C9H21N3O2/c1-3-7(14)5-12(11)9(6-13)8(10)4-2/h7,13-14H,3-6,10-11H2,1-2H3/b9-8-
InChIKeyNDANABSORCVJGC-HJWRWDBZSA-N
MW203.29 g/mol
LogP-0.49
Rot. Bonds6

About (Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol

(Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol (PubChem CID 145119581) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is (Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol
PubChem CID145119581
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name(Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol
SMILESCC/C(N)=C(\CO)N(N)CC(O)CC
InChIInChI=1S/C9H21N3O2/c1-3-7(14)5-12(11)9(6-13)8(10)4-2/h7,13-14H,3-6,10-11H2,1-2H3/b9-8-
InChIKeyNDANABSORCVJGC-HJWRWDBZSA-N
XLogP-0.49
TPSA95.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-[amino(methyl)amino]hex-3-en-3-amine
CID 155417956
1-[aminomethyl(2-hydroxybutyl)amino]butan-2-ol
CID 178085063
1-[2-hydroxybutyl(oxido)amino]butan-2-ol
CID 88520164
pentan-3-ol
CID 11428
1-[2-aminoethyl(methyl)amino]butan-2-ol
CID 62687204
(Z)-4-[amino(ethyl)amino]-5-methylhex-3-en-3-amine
CID 176714914
pentan-3-ol;dihydrochloride
CID 141116397
1-[2-hydroxyethyl(octyl)amino]butan-2-ol
CID 23423733
(2S)-1-[tert-butyl(methyl)amino]butan-2-ol
CID 131224547
butane-1,2-diol;hydrochloride
CID 141185193
butane-1,2-diol;methane
CID 158754649
(Z)-3-amino-2-[amino-[3-[4-[2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]amino]but-2-en-1-ol;ethane
CID 145119684

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol?
The IUPAC name of (Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol (CID 145119581) is (Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol.
What is the SMILES notation for (Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol?
The canonical SMILES for (Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol is CC/C(N)=C(\CO)N(N)CC(O)CC.
What is the InChIKey of (Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol?
The InChIKey is NDANABSORCVJGC-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-3-7(14)5-12(11)9(6-13)8(10)4-2/h7,13-14H,3-6,10-11H2,1-2H3/b9-8-.
What are the key properties of (Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol?
(Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol has a molecular weight of 203.29 g/mol, XLogP of -0.49, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-[amino(2-hydroxybutyl)amino]pent-2-en-1-ol is sourced from PubChem (CID 145119581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).