1-N'-(cyclobutylmethyl)ethane-1,1-diamine

C7H16N2 — CID 173135813

IUPAC1-N'-(cyclobutylmethyl)ethane-1,1-diamine
SMILESCC(N)NCC1CCC1
InChIInChI=1S/C7H16N2/c1-6(8)9-5-7-3-2-4-7/h6-7,9H,2-5,8H2,1H3
InChIKeyYIIZIWMCIDENMJ-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.68
Rot. Bonds3

About 1-N'-(cyclobutylmethyl)ethane-1,1-diamine

1-N'-(cyclobutylmethyl)ethane-1,1-diamine (PubChem CID 173135813) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-N'-(cyclobutylmethyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(cyclobutylmethyl)ethane-1,1-diamine
PubChem CID173135813
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-N'-(cyclobutylmethyl)ethane-1,1-diamine
SMILESCC(N)NCC1CCC1
InChIInChI=1S/C7H16N2/c1-6(8)9-5-7-3-2-4-7/h6-7,9H,2-5,8H2,1H3
InChIKeyYIIZIWMCIDENMJ-UHFFFAOYSA-N
XLogP0.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-(cyclobutylmethyl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(cyclobutylmethyl)ethane-1,1-diamine (CID 173135813) is 1-N'-(cyclobutylmethyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(cyclobutylmethyl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(cyclobutylmethyl)ethane-1,1-diamine is CC(N)NCC1CCC1.
What is the InChIKey of 1-N'-(cyclobutylmethyl)ethane-1,1-diamine?
The InChIKey is YIIZIWMCIDENMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(8)9-5-7-3-2-4-7/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1-N'-(cyclobutylmethyl)ethane-1,1-diamine?
1-N'-(cyclobutylmethyl)ethane-1,1-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(cyclobutylmethyl)ethane-1,1-diamine is sourced from PubChem (CID 173135813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).