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

C10H24N2 — CID 79814972

IUPAC2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(N)(CC)CN(C)C(C)C
InChIInChI=1S/C10H24N2/c1-6-10(11,7-2)8-12(5)9(3)4/h9H,6-8,11H2,1-5H3
InChIKeyDCZLLACOFGYWOY-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.84
Rot. Bonds5

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

2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 79814972) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID79814972
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(N)(CC)CN(C)C(C)C
InChIInChI=1S/C10H24N2/c1-6-10(11,7-2)8-12(5)9(3)4/h9H,6-8,11H2,1-5H3
InChIKeyDCZLLACOFGYWOY-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine
CID 79814315
2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62264308
N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
CID 23588538
2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79812309
2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62263389
1-N-(3,3-dimethylbutan-2-yl)-1-N,2-dimethylbutane-1,2-diamine
CID 79812068
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62262271
3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
CID 65000340
3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol
CID 106811374
(3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine
CID 176932878
3-ethylpentan-3-amine;phosphane;hexahydrofluoride
CID 173156412
3-ethylpentan-3-amine;sulfane;tungsten
CID 11450352

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine (CID 79814972) is 2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine is CCC(N)(CC)CN(C)C(C)C.
What is the InChIKey of 2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is DCZLLACOFGYWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-6-10(11,7-2)8-12(5)9(3)4/h9H,6-8,11H2,1-5H3.
What are the key properties of 2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine?
2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 79814972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).