4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol

C15H29N3O2 — CID 174077570

IUPAC4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol
SMILESCC(/C=N/C1CCC(N)CC1)=C(N)OCCC(C)(C)O
InChIInChI=1S/C15H29N3O2/c1-11(14(17)20-9-8-15(2,3)19)10-18-13-6-4-12(16)5-7-13/h10,12-13,19H,4-9,16-17H2,1-3H3/b14-11?,18-10+
InChIKeyNIIMKTHROUUVBU-HYDXHRIHSA-N
MW283.42 g/mol
LogP1.69
Rot. Bonds6

About 4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol

4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol (PubChem CID 174077570) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol
PubChem CID174077570
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol
SMILESCC(/C=N/C1CCC(N)CC1)=C(N)OCCC(C)(C)O
InChIInChI=1S/C15H29N3O2/c1-11(14(17)20-9-8-15(2,3)19)10-18-13-6-4-12(16)5-7-13/h10,12-13,19H,4-9,16-17H2,1-3H3/b14-11?,18-10+
InChIKeyNIIMKTHROUUVBU-HYDXHRIHSA-N
XLogP1.69
TPSA93.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine
CID 174077948
1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol
CID 174077564
1-(4-aminocyclohexyl)-2-methylpropan-2-ol
CID 83816306
4-(3-aminocyclohexyl)oxy-2-methylbutan-2-ol
CID 106938707
bis(3-hydroxy-3-methylbutyl) 2-propan-2-ylidenepropanedioate
CID 58322019
2-(4-aminocyclohexyl)-1,1-dimethylguanidine
CID 58655487
1-[4-[[(E)-2,3-diaminoprop-2-enylidene]amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 165161617
N'-(3-hydroxy-3-methylbutyl)ethanimidamide
CID 130723765
cyclohexane-1,4-diamine;ethane-1,2-diamine
CID 70127275
4-(cyclobutylmethylamino)-2-methylbutan-2-ol
CID 79359922
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane
CID 159510225
N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide
CID 130723764

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol (CID 174077570) is 4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol is CC(/C=N/C1CCC(N)CC1)=C(N)OCCC(C)(C)O.
What is the InChIKey of 4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol?
The InChIKey is NIIMKTHROUUVBU-HYDXHRIHSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11(14(17)20-9-8-15(2,3)19)10-18-13-6-4-12(16)5-7-13/h10,12-13,19H,4-9,16-17H2,1-3H3/b14-11?,18-10+.
What are the key properties of 4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol?
4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol has a molecular weight of 283.42 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 174077570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).