1-[(2-aminoethylamino)methyl]cyclopropan-1-ol

C6H14N2O — CID 84648106

IUPAC1-[(2-aminoethylamino)methyl]cyclopropan-1-ol
SMILESNCCNCC1(O)CC1
InChIInChI=1S/C6H14N2O/c7-3-4-8-5-6(9)1-2-6/h8-9H,1-5,7H2
InChIKeyBPCAOWPJDYEXSQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.94
Rot. Bonds4

About 1-[(2-aminoethylamino)methyl]cyclopropan-1-ol

1-[(2-aminoethylamino)methyl]cyclopropan-1-ol (PubChem CID 84648106) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-[(2-aminoethylamino)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(2-aminoethylamino)methyl]cyclopropan-1-ol
PubChem CID84648106
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1-[(2-aminoethylamino)methyl]cyclopropan-1-ol
SMILESNCCNCC1(O)CC1
InChIInChI=1S/C6H14N2O/c7-3-4-8-5-6(9)1-2-6/h8-9H,1-5,7H2
InChIKeyBPCAOWPJDYEXSQ-UHFFFAOYSA-N
XLogP-0.94
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(butylaminomethyl)cyclopropan-1-ol
CID 89141441
1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol
CID 65211357
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735
4-[(1-hydroxycycloheptyl)methylamino]butanamide
CID 60908501
1-(hydrazinylmethyl)cyclopropan-1-ol
CID 105426947
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
1-[(5-hydroxypentylamino)methyl]cyclopentan-1-ol
CID 65111515
1-[[2-(dimethylamino)ethylamino]methyl]cyclopentan-1-ol
CID 65109208
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol
CID 115664087
5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
CID 65123008
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminoethylamino)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(2-aminoethylamino)methyl]cyclopropan-1-ol (CID 84648106) is 1-[(2-aminoethylamino)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(2-aminoethylamino)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(2-aminoethylamino)methyl]cyclopropan-1-ol is NCCNCC1(O)CC1.
What is the InChIKey of 1-[(2-aminoethylamino)methyl]cyclopropan-1-ol?
The InChIKey is BPCAOWPJDYEXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c7-3-4-8-5-6(9)1-2-6/h8-9H,1-5,7H2.
What are the key properties of 1-[(2-aminoethylamino)methyl]cyclopropan-1-ol?
1-[(2-aminoethylamino)methyl]cyclopropan-1-ol has a molecular weight of 130.19 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminoethylamino)methyl]cyclopropan-1-ol is sourced from PubChem (CID 84648106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).