2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine

C12H26N2 — CID 62568961

IUPAC2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(CC)C(C)CC
InChIInChI=1S/C12H26N2/c1-6-9-13-10-12(5)14(8-3)11(4)7-2/h6,11-13H,1,7-10H2,2-5H3
InChIKeySNNZVCZIWZCZPQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds8

About 2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine

2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 62568961) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID62568961
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(CC)C(C)CC
InChIInChI=1S/C12H26N2/c1-6-9-13-10-12(5)14(8-3)11(4)7-2/h6,11-13H,1,7-10H2,2-5H3
InChIKeySNNZVCZIWZCZPQ-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.27
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

2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 62569622
2-N,2-N-diethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62557121
2-N-(2-methoxyethyl)-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine
CID 82953229
2,3-dimethyl-N-prop-2-enylpentan-1-amine
CID 10057996
2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62558184
2-N-methyl-2-N-(4-methylpentan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine
CID 62570558
2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568971
N'-butan-2-yl-N'-butyl-N-prop-2-enylethane-1,2-diamine
CID 62558135
2-propan-2-ylsulfanyl-N-prop-2-enylpropan-1-amine
CID 62579087
2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 107440897
N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine
CID 62574549
2-methyl-3-(prop-2-enylamino)propan-1-ol
CID 65036515

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine (CID 62568961) is 2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine is C=CCNCC(C)N(CC)C(C)CC.
What is the InChIKey of 2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is SNNZVCZIWZCZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-9-13-10-12(5)14(8-3)11(4)7-2/h6,11-13H,1,7-10H2,2-5H3.
What are the key properties of 2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine?
2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 62568961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).