N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide

C9H21N3 — CID 139506562

IUPACN-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide
SMILESCCN(C)CCC(C)N/C=N/C
InChIInChI=1S/C9H21N3/c1-5-12(4)7-6-9(2)11-8-10-3/h8-9H,5-7H2,1-4H3,(H,10,11)
InChIKeyNNEYITLEPAGHNC-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.96
Rot. Bonds6

About N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide

N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide (PubChem CID 139506562) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide
PubChem CID139506562
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide
SMILESCCN(C)CCC(C)N/C=N/C
InChIInChI=1S/C9H21N3/c1-5-12(4)7-6-9(2)11-8-10-3/h8-9H,5-7H2,1-4H3,(H,10,11)
InChIKeyNNEYITLEPAGHNC-UHFFFAOYSA-N
XLogP0.96
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
CID 153352387
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
N-ethyl-N,3,5-trimethylheptan-1-amine
CID 123997066
4-[ethyl(methyl)amino]-2-methylbutanenitrile
CID 88586045
N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
3-N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-N-ethyl-1-N-methylbutane-1,3-diamine
CID 143375654
N-ethyl-N-methyl-3-methylsulfonylbutan-1-amine
CID 142482776
3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane
CID 156728034
CID 173126602
CID 173126602
N-[5-(dimethylamino)pentan-2-yl]formamide
CID 141096564

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide (CID 139506562) is N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide is CCN(C)CCC(C)N/C=N/C.
What is the InChIKey of N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide?
The InChIKey is NNEYITLEPAGHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-5-12(4)7-6-9(2)11-8-10-3/h8-9H,5-7H2,1-4H3,(H,10,11).
What are the key properties of N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide?
N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide has a molecular weight of 171.29 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 139506562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).