N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine

C9H23N3 — CID 168977512

IUPACN-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine
SMILESCCN(N)CC(C)NC(C)(C)C
InChIInChI=1S/C9H23N3/c1-6-12(10)7-8(2)11-9(3,4)5/h8,11H,6-7,10H2,1-5H3
InChIKeyVWQSTBXSPAZFEX-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.96
Rot. Bonds4

About N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine

N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine (PubChem CID 168977512) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine
PubChem CID168977512
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC NameN-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine
SMILESCCN(N)CC(C)NC(C)(C)C
InChIInChI=1S/C9H23N3/c1-6-12(10)7-8(2)11-9(3,4)5/h8,11H,6-7,10H2,1-5H3
InChIKeyVWQSTBXSPAZFEX-UHFFFAOYSA-N
XLogP0.96
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine?
The IUPAC name of N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine (CID 168977512) is N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine?
The canonical SMILES for N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine is CCN(N)CC(C)NC(C)(C)C.
What is the InChIKey of N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine?
The InChIKey is VWQSTBXSPAZFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-6-12(10)7-8(2)11-9(3,4)5/h8,11H,6-7,10H2,1-5H3.
What are the key properties of N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine?
N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 168977512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).