4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine

C16H31N3O2 — CID 174077948

IUPAC4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine
SMILESCOCC(C)(C)COC(N)=C(C)/C=N/C1CCC(N)CC1
InChIInChI=1S/C16H31N3O2/c1-12(9-19-14-7-5-13(17)6-8-14)15(18)21-11-16(2,3)10-20-4/h9,13-14H,5-8,10-11,17-18H2,1-4H3/b15-12?,19-9+
InChIKeyZEVZUADETIQGDA-RPABXMIHSA-N
MW297.44 g/mol
LogP2.21
Rot. Bonds7

About 4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine

4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine (PubChem CID 174077948) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine
PubChem CID174077948
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine
SMILESCOCC(C)(C)COC(N)=C(C)/C=N/C1CCC(N)CC1
InChIInChI=1S/C16H31N3O2/c1-12(9-19-14-7-5-13(17)6-8-14)15(18)21-11-16(2,3)10-20-4/h9,13-14H,5-8,10-11,17-18H2,1-4H3/b15-12?,19-9+
InChIKeyZEVZUADETIQGDA-RPABXMIHSA-N
XLogP2.21
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
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-[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]-2-methylbutan-2-ol
CID 174077570
1-[[1-amino-3-(4-aminocyclohexyl)imino-2-methylprop-1-enoxy]methyl]cyclobutan-1-ol
CID 174077564
2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine
CID 115629390
4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine
CID 141338808
2-(4-aminocyclohexyl)-N-(1-methoxy-2-methylpropan-2-yl)acetamide
CID 113470824
3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid
CID 87707979
[1-(3-methoxy-2,2-dimethylpropyl)piperidin-4-yl]methanamine
CID 22236505
4-(3-methoxypropyl)cyclohexan-1-amine;hydrochloride
CID 146675825
1-amino-2-cyclopropyl-3-methoxypropan-2-ol
CID 64813573
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
3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine
CID 88929360

Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine?
The IUPAC name of 4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine (CID 174077948) is 4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine.
What is the SMILES notation for 4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine?
The canonical SMILES for 4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine is COCC(C)(C)COC(N)=C(C)/C=N/C1CCC(N)CC1.
What is the InChIKey of 4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine?
The InChIKey is ZEVZUADETIQGDA-RPABXMIHSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12(9-19-14-7-5-13(17)6-8-14)15(18)21-11-16(2,3)10-20-4/h9,13-14H,5-8,10-11,17-18H2,1-4H3/b15-12?,19-9+.
What are the key properties of 4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine?
4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-amino-3-(3-methoxy-2,2-dimethylpropoxy)-2-methylprop-2-enylidene]amino]cyclohexan-1-amine is sourced from PubChem (CID 174077948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).