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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Related Compounds

CID 1102
CID 1102
CID 7993
CID 7993
CID 8148
CID 8148
CID 368
CID 368
CID 61011
CID 61011
CID 25914
CID 25914
CID 81207
CID 81207
CID 80511
CID 80511
CID 8068
CID 8068
CID 7777
CID 7777
CID 82728
CID 82728
CID 6992097
CID 6992097

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).