N,N',N'-trimethylbutane-1,4-diamine

C7H18N2 — CID 10419213

IUPACN,N',N'-trimethylbutane-1,4-diamine
SMILESCNCCCCN(C)C
InChIInChI=1S/C7H18N2/c1-8-6-4-5-7-9(2)3/h8H,4-7H2,1-3H3
InChIKeyUOTKNWSJLVKOJR-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.55
Rot. Bonds5

About N,N',N'-trimethylbutane-1,4-diamine

N,N',N'-trimethylbutane-1,4-diamine (PubChem CID 10419213) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is N,N',N'-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN,N',N'-trimethylbutane-1,4-diamine
PubChem CID10419213
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC NameN,N',N'-trimethylbutane-1,4-diamine
SMILESCNCCCCN(C)C
InChIInChI=1S/C7H18N2/c1-8-6-4-5-7-9(2)3/h8H,4-7H2,1-3H3
InChIKeyUOTKNWSJLVKOJR-UHFFFAOYSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N',N'-trimethylbutane-1,4-diamine?
The IUPAC name of N,N',N'-trimethylbutane-1,4-diamine (CID 10419213) is N,N',N'-trimethylbutane-1,4-diamine.
What is the SMILES notation for N,N',N'-trimethylbutane-1,4-diamine?
The canonical SMILES for N,N',N'-trimethylbutane-1,4-diamine is CNCCCCN(C)C.
What is the InChIKey of N,N',N'-trimethylbutane-1,4-diamine?
The InChIKey is UOTKNWSJLVKOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-8-6-4-5-7-9(2)3/h8H,4-7H2,1-3H3.
What are the key properties of N,N',N'-trimethylbutane-1,4-diamine?
N,N',N'-trimethylbutane-1,4-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-trimethylbutane-1,4-diamine is sourced from PubChem (CID 10419213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).