2-[aminomethyl(propan-2-yl)amino]propan-1-ol

C7H18N2O — CID 177367266

IUPAC2-[aminomethyl(propan-2-yl)amino]propan-1-ol
SMILESCC(C)N(CN)C(C)CO
InChIInChI=1S/C7H18N2O/c1-6(2)9(5-8)7(3)4-10/h6-7,10H,4-5,8H2,1-3H3
InChIKeyBEKJOOVJFDPGOS-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.01
Rot. Bonds4

About 2-[aminomethyl(propan-2-yl)amino]propan-1-ol

2-[aminomethyl(propan-2-yl)amino]propan-1-ol (PubChem CID 177367266) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-[aminomethyl(propan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[aminomethyl(propan-2-yl)amino]propan-1-ol
PubChem CID177367266
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name2-[aminomethyl(propan-2-yl)amino]propan-1-ol
SMILESCC(C)N(CN)C(C)CO
InChIInChI=1S/C7H18N2O/c1-6(2)9(5-8)7(3)4-10/h6-7,10H,4-5,8H2,1-3H3
InChIKeyBEKJOOVJFDPGOS-UHFFFAOYSA-N
XLogP-0.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[butan-2-yl(propan-2-yl)amino]ethyl-(1-hydroxypropan-2-yl)amino]propan-1-ol
CID 22971826
3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol
CID 104710820
2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol
CID 155038056
ethanol;N-ethyl-N-propan-2-ylpropan-2-amine;hydrate
CID 87772214
3-amino-2-[2-methylpropyl(propan-2-yl)amino]propan-1-ol
CID 104710922
N-ethyl-N-(1,2,3-13C3)propan-2-yl(1,2,3-13C3)propan-2-amine
CID 71309796
dihydroxy(oxo)phosphanium;N-ethyl-N-propan-2-ylpropan-2-amine
CID 139533112
N-ethyl-N-propan-2-ylpropan-2-amine;propan-2-ol
CID 159144844
3-amino-2-[propan-2-yl(propyl)amino]pentan-1-ol
CID 104840311
acetamide;N-ethyl-N-propan-2-ylpropan-2-amine
CID 158250626
2-[di(propan-2-yl)amino]ethanol;methane
CID 145105271
N-ethyl-N-propan-2-ylpropan-2-amine;trihydrofluoride
CID 45108321

Frequently Asked Questions

What is the IUPAC name of 2-[aminomethyl(propan-2-yl)amino]propan-1-ol?
The IUPAC name of 2-[aminomethyl(propan-2-yl)amino]propan-1-ol (CID 177367266) is 2-[aminomethyl(propan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[aminomethyl(propan-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-[aminomethyl(propan-2-yl)amino]propan-1-ol is CC(C)N(CN)C(C)CO.
What is the InChIKey of 2-[aminomethyl(propan-2-yl)amino]propan-1-ol?
The InChIKey is BEKJOOVJFDPGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-6(2)9(5-8)7(3)4-10/h6-7,10H,4-5,8H2,1-3H3.
What are the key properties of 2-[aminomethyl(propan-2-yl)amino]propan-1-ol?
2-[aminomethyl(propan-2-yl)amino]propan-1-ol has a molecular weight of 146.23 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[aminomethyl(propan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 177367266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).