1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol

C7H18N4O — CID 146532957

IUPAC1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol
SMILESCC(O)N(C)N(C1CC1)N(C)N
InChIInChI=1S/C7H18N4O/c1-6(12)9(2)11(10(3)8)7-4-5-7/h6-7,12H,4-5,8H2,1-3H3
InChIKeyZALXCWVARAITJP-UHFFFAOYSA-N
MW174.25 g/mol
LogP-0.64
Rot. Bonds4

About 1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol

1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol (PubChem CID 146532957) has the molecular formula C7H18N4O and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol.

Molecular Properties

Compound Name1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol
PubChem CID146532957
Molecular FormulaC7H18N4O
Molecular Weight174.25 g/mol
Exact Mass174.15
IUPAC Name1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol
SMILESCC(O)N(C)N(C1CC1)N(C)N
InChIInChI=1S/C7H18N4O/c1-6(12)9(2)11(10(3)8)7-4-5-7/h6-7,12H,4-5,8H2,1-3H3
InChIKeyZALXCWVARAITJP-UHFFFAOYSA-N
XLogP-0.64
TPSA55.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-(1-hydroxyethyl)formamide
CID 174552512
N-methyl-N-propan-2-ylcyclopropanamine
CID 21024125
(1S)-1-(dimethylamino)ethanol
CID 93477761
(1R)-1-(dimethylamino)ethanol
CID 93477762
(1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol
CID 134491150
[hydrazinyl(methyl)amino]cyclopropane
CID 130311889
4-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine
CID 18419789
1-[cyclopropyl(propyl)amino]propan-2-ol
CID 60886554
4-[amino(methyl)amino]cyclohexan-1-amine
CID 131970686
(2S)-1-[(2-amino-1-cyclopropylethyl)-methylamino]propan-2-ol
CID 106933660
2-cyclohexyl-N-methylpropanehydrazide
CID 116845848
2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide
CID 79121744

Frequently Asked Questions

What is the IUPAC name of 1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol?
The IUPAC name of 1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol (CID 146532957) is 1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol.
What is the SMILES notation for 1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol?
The canonical SMILES for 1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol is CC(O)N(C)N(C1CC1)N(C)N.
What is the InChIKey of 1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol?
The InChIKey is ZALXCWVARAITJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O/c1-6(12)9(2)11(10(3)8)7-4-5-7/h6-7,12H,4-5,8H2,1-3H3.
What are the key properties of 1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol?
1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol has a molecular weight of 174.25 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[amino(methyl)amino]-cyclopropylamino]-methylamino]ethanol is sourced from PubChem (CID 146532957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).