2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine

C11H24N2 — CID 114472186

IUPAC2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine
SMILESC=C(C)CCNCC(C)(C)N(C)C
InChIInChI=1S/C11H24N2/c1-10(2)7-8-12-9-11(3,4)13(5)6/h12H,1,7-9H2,2-6H3
InChIKeyBLLKKTOOQBTKLM-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.88
Rot. Bonds6

About 2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine (PubChem CID 114472186) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine
PubChem CID114472186
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine
SMILESC=C(C)CCNCC(C)(C)N(C)C
InChIInChI=1S/C11H24N2/c1-10(2)7-8-12-9-11(3,4)13(5)6/h12H,1,7-9H2,2-6H3
InChIKeyBLLKKTOOQBTKLM-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxy-2-methylpropyl)-3-methylbut-3-en-1-amine
CID 114941946
2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol
CID 106292807
1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 107444652
2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine
CID 114472495
1-N-(3-chloro-2-methylprop-2-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106437637
1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106723490
2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103605340
N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine
CID 114472547
2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide
CID 60693907
3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol
CID 76916895
2-(dimethylamino)-2,6-dimethylhept-6-en-3-one
CID 114473625
methyl 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methylbut-2-enoate
CID 103247480

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine (CID 114472186) is 2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine is C=C(C)CCNCC(C)(C)N(C)C.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine?
The InChIKey is BLLKKTOOQBTKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(2)7-8-12-9-11(3,4)13(5)6/h12H,1,7-9H2,2-6H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine is sourced from PubChem (CID 114472186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).