2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine

C11H26N2 — CID 164857720

IUPAC2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CN(C)C(C)C)N(C)CC
InChIInChI=1S/C11H26N2/c1-7-11(12(5)8-2)9-13(6)10(3)4/h10-11H,7-9H2,1-6H3
InChIKeySCAPTCPOPWSSNV-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.06
Rot. Bonds6

About 2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine

2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 164857720) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID164857720
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CN(C)C(C)C)N(C)CC
InChIInChI=1S/C11H26N2/c1-7-11(12(5)8-2)9-13(6)10(3)4/h10-11H,7-9H2,1-6H3
InChIKeySCAPTCPOPWSSNV-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethene;N-ethyl-N-methylpropan-2-amine
CID 144977253
1-chloro-N-ethyl-N-methylbutan-2-amine
CID 130629325
(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 143518615
(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
CID 166489938
CID 166489938
3-[ethyl(methyl)amino]pentanoic acid
CID 63067557
(2R)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 103934492
N-ethyl-N,7-dimethyloctan-2-amine
CID 123377571
1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 43571008
N-ethyl-N,5-dimethylheptan-2-amine
CID 91289323
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
1-N'-ethyl-1-N'-methylpropane-1,1-diamine
CID 18987876

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine (CID 164857720) is 2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine is CCC(CN(C)C(C)C)N(C)CC.
What is the InChIKey of 2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is SCAPTCPOPWSSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-7-11(12(5)8-2)9-13(6)10(3)4/h10-11H,7-9H2,1-6H3.
What are the key properties of 2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 164857720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).