3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine

C11H26N2 — CID 65386054

IUPAC3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCCC(CC)C(CN)NCC(C)C
InChIInChI=1S/C11H26N2/c1-5-10(6-2)11(7-12)13-8-9(3)4/h9-11,13H,5-8,12H2,1-4H3
InChIKeyXXDSPUQPYPSLDM-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.00
Rot. Bonds7

About 3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine

3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 65386054) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine
PubChem CID65386054
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCCC(CC)C(CN)NCC(C)C
InChIInChI=1S/C11H26N2/c1-5-10(6-2)11(7-12)13-8-9(3)4/h9-11,13H,5-8,12H2,1-4H3
InChIKeyXXDSPUQPYPSLDM-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-(diethylamino)ethyl]-3-ethylpentane-1,2-diamine
CID 65382937
methyl 3-ethyl-2-(2-methylpropylamino)pentanoate
CID 61317915
1-N-(2-methylpropyl)-1-N'-propan-2-ylpropane-1,1-diamine
CID 167346296
2-N-ethyl-3-methylpentane-1,2-diamine
CID 62066397
1-N'-(2-methylpropyl)ethane-1,1-diamine
CID 90182021
3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
CID 102912296
(2R)-1-N,3-dimethyl-2-N-(2-methylpropyl)butane-1,2-diamine
CID 166718424
3-methyl-1-N,1-N'-bis(2-methylpropyl)butane-1,1-diamine
CID 160646348
4-ethylhexan-3-ylhydrazine
CID 105200896
2-N-(2-methylpropyl)nonane-1,2-diamine
CID 65385407
(3R)-3-(aminomethyl)pentan-2-ol
CID 141325021
2-ethyl-4-methylpentane-1,3-diamine
CID 116945412

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine (CID 65386054) is 3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine is CCC(CC)C(CN)NCC(C)C.
What is the InChIKey of 3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is XXDSPUQPYPSLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-10(6-2)11(7-12)13-8-9(3)4/h9-11,13H,5-8,12H2,1-4H3.
What are the key properties of 3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine?
3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 65386054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).