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

C15H27N3O2 — CID 174077564

IUPAC1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol
SMILESCC(/C=N/C1CCC(N)CC1)=C(N)OCC1(O)CCC1
InChIInChI=1S/C15H27N3O2/c1-11(9-18-13-5-3-12(16)4-6-13)14(17)20-10-15(19)7-2-8-15/h9,12-13,19H,2-8,10,16-17H2,1H3/b14-11?,18-9+
InChIKeySEHXQKQERXIMHJ-RDPVNHIISA-N
MW281.40 g/mol
LogP1.45
Rot. Bonds5

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

1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol (PubChem CID 174077564) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol
PubChem CID174077564
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol
SMILESCC(/C=N/C1CCC(N)CC1)=C(N)OCC1(O)CCC1
InChIInChI=1S/C15H27N3O2/c1-11(9-18-13-5-3-12(16)4-6-13)14(17)20-10-15(19)7-2-8-15/h9,12-13,19H,2-8,10,16-17H2,1H3/b14-11?,18-9+
InChIKeySEHXQKQERXIMHJ-RDPVNHIISA-N
XLogP1.45
TPSA93.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.45
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'}

Analyze 1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol
CID 174077570
4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine
CID 174077948
4-amino-1-(aminomethyl)cyclohexan-1-ol
CID 105428674
4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 59401509
cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol
CID 97052724
1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine
CID 174036469
1-[[(4-aminocyclohexyl)-methylamino]methyl]cyclopropan-1-ol
CID 172599097
methyl 2-(1-hydroxycyclobutyl)acetate
CID 59069629
N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide
CID 131036177
4-amino-1-(2-methylprop-1-enyl)cyclohexan-1-ol
CID 79177327
4-diazenylcyclohexan-1-amine
CID 153231015
4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine
CID 115213461

Frequently Asked Questions

What is the IUPAC name of 1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol (CID 174077564) is 1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol is CC(/C=N/C1CCC(N)CC1)=C(N)OCC1(O)CCC1.
What is the InChIKey of 1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol?
The InChIKey is SEHXQKQERXIMHJ-RDPVNHIISA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(9-18-13-5-3-12(16)4-6-13)14(17)20-10-15(19)7-2-8-15/h9,12-13,19H,2-8,10,16-17H2,1H3/b14-11?,18-9+.
What are the key properties of 1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol?
1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol is sourced from PubChem (CID 174077564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).