N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine

C9H22N2 — CID 115205666

IUPACN'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)C(C)(C)C
InChIInChI=1S/C9H22N2/c1-6-10-7-8-11(5)9(2,3)4/h10H,6-8H2,1-5H3
InChIKeyMTNJORQNEPKSBH-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.33
Rot. Bonds4

About N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine

N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine (PubChem CID 115205666) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine
PubChem CID115205666
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCNCCN(C)C(C)(C)C
InChIInChI=1S/C9H22N2/c1-6-10-7-8-11(5)9(2,3)4/h10H,6-8H2,1-5H3
InChIKeyMTNJORQNEPKSBH-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
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

N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine
CID 134185824
N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane
CID 143427394
N-[2-[tert-butyl(methyl)amino]ethyl]acetamide
CID 89022551
N'-(3,3-dimethylbutyl)-N-ethyl-N'-iodoethane-1,2-diamine
CID 155118462
N,N-dimethylmethanamine;N-ethylpropan-1-amine
CID 118663401
propane;N,N',N'-triethylethane-1,2-diamine
CID 157059256
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387174
tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
N'-but-1-enyl-N-ethyl-N'-methylethane-1,2-diamine
CID 123878182
N'-decyl-N-ethyl-N'-methylethane-1,2-diamine
CID 63526975
N-tert-butyl-N-methylbutan-1-amine;2-methylpropane
CID 158127405
1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol
CID 87855990

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine (CID 115205666) is N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine is CCNCCN(C)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is MTNJORQNEPKSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-6-10-7-8-11(5)9(2,3)4/h10H,6-8H2,1-5H3.
What are the key properties of N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine?
N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.33, 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-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115205666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).