1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine

C9H23N3 — CID 166961536

IUPAC1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCN(CN)CC(C)NC(C)C
InChIInChI=1S/C9H23N3/c1-5-12(7-10)6-9(4)11-8(2)3/h8-9,11H,5-7,10H2,1-4H3
InChIKeyGYECBNCPWRXYAM-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.61
Rot. Bonds6

About 1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine

1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine (PubChem CID 166961536) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine
PubChem CID166961536
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCN(CN)CC(C)NC(C)C
InChIInChI=1S/C9H23N3/c1-5-12(7-10)6-9(4)11-8(2)3/h8-9,11H,5-7,10H2,1-4H3
InChIKeyGYECBNCPWRXYAM-UHFFFAOYSA-N
XLogP0.61
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.61
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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Frequently Asked Questions

What is the IUPAC name of 1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine (CID 166961536) is 1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine is CCN(CN)CC(C)NC(C)C.
What is the InChIKey of 1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is GYECBNCPWRXYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-5-12(7-10)6-9(4)11-8(2)3/h8-9,11H,5-7,10H2,1-4H3.
What are the key properties of 1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine?
1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(aminomethyl)-1-N-ethyl-2-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 166961536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).