N-amino-N-(4-methylpentylideneamino)ethanimidamide

C8H18N4 — CID 123321539

IUPACN-amino-N-(4-methylpentylideneamino)ethanimidamide
SMILES[H]/N=C(\C)N(N)N=CCCC(C)C
InChIInChI=1S/C8H18N4/c1-7(2)5-4-6-11-12(10)8(3)9/h6-7,9H,4-5,10H2,1-3H3/b9-8+,11-6?
InChIKeyYRJJBHPCVOFMKD-XLRMNLRISA-N
MW170.26 g/mol
LogP1.58
Rot. Bonds4

About N-amino-N-(4-methylpentylideneamino)ethanimidamide

N-amino-N-(4-methylpentylideneamino)ethanimidamide (PubChem CID 123321539) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N-amino-N-(4-methylpentylideneamino)ethanimidamide.

Molecular Properties

Compound NameN-amino-N-(4-methylpentylideneamino)ethanimidamide
PubChem CID123321539
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN-amino-N-(4-methylpentylideneamino)ethanimidamide
SMILES[H]/N=C(\C)N(N)N=CCCC(C)C
InChIInChI=1S/C8H18N4/c1-7(2)5-4-6-11-12(10)8(3)9/h6-7,9H,4-5,10H2,1-3H3/b9-8+,11-6?
InChIKeyYRJJBHPCVOFMKD-XLRMNLRISA-N
XLogP1.58
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-(1-cyclopropylethyl)propane-1,2-diimine
CID 123669963
CID 57433789
CID 57433789
(Z)-8-imino-3-methylnon-6-en-1-ol
CID 134553932
N-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide
CID 139333475
6-methylhept-2-enamide
CID 130247366
N-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 134719392
3-methylbutanimidamide;hydrochloride
CID 18967932
2,3-diamino-N'-ethanimidoyl-N-ethenyl-N-(2-methylpropyl)but-2-enimidamide
CID 174042244
1,1-bis(11-methyldodecyl)guanidine
CID 19826644
methyl 2-(4-methylpentylideneamino)acetate
CID 141316297
N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide
CID 144974257
(Z)-4-iminopent-2-en-1-amine
CID 142289238

Frequently Asked Questions

What is the IUPAC name of N-amino-N-(4-methylpentylideneamino)ethanimidamide?
The IUPAC name of N-amino-N-(4-methylpentylideneamino)ethanimidamide (CID 123321539) is N-amino-N-(4-methylpentylideneamino)ethanimidamide.
What is the SMILES notation for N-amino-N-(4-methylpentylideneamino)ethanimidamide?
The canonical SMILES for N-amino-N-(4-methylpentylideneamino)ethanimidamide is [H]/N=C(\C)N(N)N=CCCC(C)C.
What is the InChIKey of N-amino-N-(4-methylpentylideneamino)ethanimidamide?
The InChIKey is YRJJBHPCVOFMKD-XLRMNLRISA-N. The full InChI is InChI=1S/C8H18N4/c1-7(2)5-4-6-11-12(10)8(3)9/h6-7,9H,4-5,10H2,1-3H3/b9-8+,11-6?.
What are the key properties of N-amino-N-(4-methylpentylideneamino)ethanimidamide?
N-amino-N-(4-methylpentylideneamino)ethanimidamide has a molecular weight of 170.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-(4-methylpentylideneamino)ethanimidamide is sourced from PubChem (CID 123321539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).