1-N-ethyl-2-N-pentylbutane-1,2-diimine

C11H22N2 — CID 91053831

IUPAC1-N-ethyl-2-N-pentylbutane-1,2-diimine
SMILESCCCCC/N=C(/C=N/CC)CC
InChIInChI=1S/C11H22N2/c1-4-7-8-9-13-11(5-2)10-12-6-3/h10H,4-9H2,1-3H3/b12-10+,13-11+
InChIKeyZXTKZZKKLCOZQK-DCIPZJNNSA-N
MW182.31 g/mol
LogP3.12
Rot. Bonds7

About 1-N-ethyl-2-N-pentylbutane-1,2-diimine

1-N-ethyl-2-N-pentylbutane-1,2-diimine (PubChem CID 91053831) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-N-ethyl-2-N-pentylbutane-1,2-diimine.

Molecular Properties

Compound Name1-N-ethyl-2-N-pentylbutane-1,2-diimine
PubChem CID91053831
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-N-ethyl-2-N-pentylbutane-1,2-diimine
SMILESCCCCC/N=C(/C=N/CC)CC
InChIInChI=1S/C11H22N2/c1-4-7-8-9-13-11(5-2)10-12-6-3/h10H,4-9H2,1-3H3/b12-10+,13-11+
InChIKeyZXTKZZKKLCOZQK-DCIPZJNNSA-N
XLogP3.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-pentylpropanimidamide
CID 62047571
N'-hexylpropanimidamide
CID 62048653
2-methyl-N-pentylprop-2-en-1-imine
CID 169090203
2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide
CID 136598188
2-tetradecyliminoacetic acid
CID 88692071
1-N,2-N-dihydroxy-1-N',2-N'-dipentylethanediimidamide
CID 136854400
(NE)-N-(3-pentyliminobutan-2-ylidene)hydroxylamine
CID 177494784
1,1,3,3-tetramethyl-2-octadecylguanidine
CID 153446328
2-decyl-1,1,3,3-tetramethylguanidine
CID 13127985
4-methyl-N-pentylpent-1-en-3-imine
CID 123625020
N'-dodecyl-2-hydroxyethanimidamide
CID 90353251
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-pentylbutane-1,2-diimine?
The IUPAC name of 1-N-ethyl-2-N-pentylbutane-1,2-diimine (CID 91053831) is 1-N-ethyl-2-N-pentylbutane-1,2-diimine.
What is the SMILES notation for 1-N-ethyl-2-N-pentylbutane-1,2-diimine?
The canonical SMILES for 1-N-ethyl-2-N-pentylbutane-1,2-diimine is CCCCC/N=C(/C=N/CC)CC.
What is the InChIKey of 1-N-ethyl-2-N-pentylbutane-1,2-diimine?
The InChIKey is ZXTKZZKKLCOZQK-DCIPZJNNSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-7-8-9-13-11(5-2)10-12-6-3/h10H,4-9H2,1-3H3/b12-10+,13-11+.
What are the key properties of 1-N-ethyl-2-N-pentylbutane-1,2-diimine?
1-N-ethyl-2-N-pentylbutane-1,2-diimine has a molecular weight of 182.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-pentylbutane-1,2-diimine is sourced from PubChem (CID 91053831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).