N'-ethyl-N-(2-methylbutylidene)ethanimidamide

C9H18N2 — CID 142099133

IUPACN'-ethyl-N-(2-methylbutylidene)ethanimidamide
SMILESCC/N=C(C)/N=C/C(C)CC
InChIInChI=1S/C9H18N2/c1-5-8(3)7-11-9(4)10-6-2/h7-8H,5-6H2,1-4H3/b10-9+,11-7+
InChIKeyMYOQSRBPNTYXCH-FVSXOECNSA-N
MW154.26 g/mol
LogP2.54
Rot. Bonds3

About N'-ethyl-N-(2-methylbutylidene)ethanimidamide

N'-ethyl-N-(2-methylbutylidene)ethanimidamide (PubChem CID 142099133) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-ethyl-N-(2-methylbutylidene)ethanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-(2-methylbutylidene)ethanimidamide
PubChem CID142099133
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-ethyl-N-(2-methylbutylidene)ethanimidamide
SMILESCC/N=C(C)/N=C/C(C)CC
InChIInChI=1S/C9H18N2/c1-5-8(3)7-11-9(4)10-6-2/h7-8H,5-6H2,1-4H3/b10-9+,11-7+
InChIKeyMYOQSRBPNTYXCH-FVSXOECNSA-N
XLogP2.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine
CID 142056728
ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine
CID 176962867
(NZ)-N-[(2S)-2-methylbutylidene]hydroxylamine
CID 71448984
4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine
CID 126599381
N-[(E)-4-methylhex-2-en-2-yl]ethanimine
CID 90864591
(4R)-2,4-dimethylhex-2-ene
CID 142611901
(E)-2-amino-4-(2-methylbutylideneamino)hex-3-enoic acid
CID 91443581
N-ethyl-5-methylhept-6-en-2-imine
CID 126728063
3,6-dimethyloct-4-ene
CID 73165576
(E,5S)-3,5-dimethylhept-3-ene
CID 25021557
2-methyl-N-[N'-methyl-N-[(E)-3-(2-methylbutylideneamino)-4-oxobut-2-en-2-yl]carbamimidoyl]propanamide
CID 142610548
N-[(1S)-1-[4-[(E)-3-(2-methylbutylideneamino)but-2-en-2-yl]phenyl]ethyl]formamide
CID 142517155

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methylbutylidene)ethanimidamide?
The IUPAC name of N'-ethyl-N-(2-methylbutylidene)ethanimidamide (CID 142099133) is N'-ethyl-N-(2-methylbutylidene)ethanimidamide.
What is the SMILES notation for N'-ethyl-N-(2-methylbutylidene)ethanimidamide?
The canonical SMILES for N'-ethyl-N-(2-methylbutylidene)ethanimidamide is CC/N=C(C)/N=C/C(C)CC.
What is the InChIKey of N'-ethyl-N-(2-methylbutylidene)ethanimidamide?
The InChIKey is MYOQSRBPNTYXCH-FVSXOECNSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-8(3)7-11-9(4)10-6-2/h7-8H,5-6H2,1-4H3/b10-9+,11-7+.
What are the key properties of N'-ethyl-N-(2-methylbutylidene)ethanimidamide?
N'-ethyl-N-(2-methylbutylidene)ethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methylbutylidene)ethanimidamide is sourced from PubChem (CID 142099133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).