N-[[amino(propan-2-yl)amino]methyl]ethanamine

C6H17N3 — CID 118974693

IUPACN-[[amino(propan-2-yl)amino]methyl]ethanamine
SMILESCCNCN(N)C(C)C
InChIInChI=1S/C6H17N3/c1-4-8-5-9(7)6(2)3/h6,8H,4-5,7H2,1-3H3
InChIKeyBAASQWCNWXFWQO-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.14
Rot. Bonds4

About N-[[amino(propan-2-yl)amino]methyl]ethanamine

N-[[amino(propan-2-yl)amino]methyl]ethanamine (PubChem CID 118974693) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is N-[[amino(propan-2-yl)amino]methyl]ethanamine.

Molecular Properties

Compound NameN-[[amino(propan-2-yl)amino]methyl]ethanamine
PubChem CID118974693
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC NameN-[[amino(propan-2-yl)amino]methyl]ethanamine
SMILESCCNCN(N)C(C)C
InChIInChI=1S/C6H17N3/c1-4-8-5-9(7)6(2)3/h6,8H,4-5,7H2,1-3H3
InChIKeyBAASQWCNWXFWQO-UHFFFAOYSA-N
XLogP0.14
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[amino(methyl)amino]-N-methylpropan-1-amine
CID 90437118
1-[ethyl(methylamino)amino]-N-methylpropan-1-amine
CID 90437488
N-(hydrazinylmethyl)propan-2-amine
CID 117574669
3-N-[[amino(ethyl)amino]methyl]-1-N-propylbutane-1,3-diamine
CID 118974687
N-[[amino(ethyl)amino]methyl]ethanamine
CID 118974692
N-[[ethyl-(propan-2-ylamino)amino]methyl]ethanamine
CID 118974696
3-N-[[amino(ethyl)amino]methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 118974788
[Dimethylamino(propan-2-yl)amino]methanamine
CID 118974794
N-[[ethyl(methylamino)amino]methyl]ethanamine
CID 118974803
1-[Amino(propan-2-yl)amino]propan-1-amine
CID 118974807
N-[[ethyl(ethylamino)amino]methyl]ethanamine
CID 118974817
[Amino(propan-2-yl)amino]methanamine
CID 118974820

Frequently Asked Questions

What is the IUPAC name of N-[[amino(propan-2-yl)amino]methyl]ethanamine?
The IUPAC name of N-[[amino(propan-2-yl)amino]methyl]ethanamine (CID 118974693) is N-[[amino(propan-2-yl)amino]methyl]ethanamine.
What is the SMILES notation for N-[[amino(propan-2-yl)amino]methyl]ethanamine?
The canonical SMILES for N-[[amino(propan-2-yl)amino]methyl]ethanamine is CCNCN(N)C(C)C.
What is the InChIKey of N-[[amino(propan-2-yl)amino]methyl]ethanamine?
The InChIKey is BAASQWCNWXFWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-4-8-5-9(7)6(2)3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of N-[[amino(propan-2-yl)amino]methyl]ethanamine?
N-[[amino(propan-2-yl)amino]methyl]ethanamine has a molecular weight of 131.22 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[amino(propan-2-yl)amino]methyl]ethanamine is sourced from PubChem (CID 118974693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).