N-tert-butyl-N',N'-diethylmethanediamine

C9H22N2 — CID 5252273

IUPACN-tert-butyl-N',N'-diethylmethanediamine
SMILESCCN(CC)CNC(C)(C)C
InChIInChI=1S/C9H22N2/c1-6-11(7-2)8-10-9(3,4)5/h10H,6-8H2,1-5H3
InChIKeyKWTLRDNEYVAURZ-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.67
Rot. Bonds4

About N-tert-butyl-N',N'-diethylmethanediamine

N-tert-butyl-N',N'-diethylmethanediamine (PubChem CID 5252273) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N-tert-butyl-N',N'-diethylmethanediamine.

Molecular Properties

Compound NameN-tert-butyl-N',N'-diethylmethanediamine
PubChem CID5252273
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN-tert-butyl-N',N'-diethylmethanediamine
SMILESCCN(CC)CNC(C)(C)C
InChIInChI=1S/C9H22N2/c1-6-11(7-2)8-10-9(3,4)5/h10H,6-8H2,1-5H3
InChIKeyKWTLRDNEYVAURZ-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N-[1-(dimethylamino)propyl]-1-N',1-N'-dimethylpropane-1,1-diamine
CID 21923996
N,N-diethyl-N'-propyl-methanediamine
CID 149716134
1-N,1-N'-bis(2-methylpropyl)propane-1,1-diamine
CID 292838
CID 49765112
CID 49765112
N,N'-di-t-butyl 2,2-dimethyl propanediamine
CID 129835671
N-tert-butyl-N',N'-diethylmethanediamine;chlorogold
CID 135028320
1-N'-tert-butyl-1-N-(2,2,2-trifluoroethyl)ethane-1,1-diamine
CID 170937923
2,2-dimethyl-1-N,1-N'-di(propan-2-yl)propane-1,1-diamine
CID 3461159
1-N,1-N'-di(propan-2-yl)ethane-1,1-diamine
CID 5232510
1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine
CID 18432017
2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine
CID 18740704
1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine
CID 19037341

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',N'-diethylmethanediamine?
The IUPAC name of N-tert-butyl-N',N'-diethylmethanediamine (CID 5252273) is N-tert-butyl-N',N'-diethylmethanediamine.
What is the SMILES notation for N-tert-butyl-N',N'-diethylmethanediamine?
The canonical SMILES for N-tert-butyl-N',N'-diethylmethanediamine is CCN(CC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N',N'-diethylmethanediamine?
The InChIKey is KWTLRDNEYVAURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-6-11(7-2)8-10-9(3,4)5/h10H,6-8H2,1-5H3.
What are the key properties of N-tert-butyl-N',N'-diethylmethanediamine?
N-tert-butyl-N',N'-diethylmethanediamine has a molecular weight of 158.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',N'-diethylmethanediamine is sourced from PubChem (CID 5252273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).