N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide

C14H24N4O2S — CID 115317749

IUPACN'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide
SMILESCC(C)C(N)CCN(C)CC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C14H24N4O2S/c1-10(2)11(15)6-7-18(3)9-13(19)16-17-14(20)12-5-4-8-21-12/h4-5,8,10-11H,6-7,9,15H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyKGDMTZQLKNGZOG-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.81
Rot. Bonds7

About N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide

N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide (PubChem CID 115317749) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide
PubChem CID115317749
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide
SMILESCC(C)C(N)CCN(C)CC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C14H24N4O2S/c1-10(2)11(15)6-7-18(3)9-13(19)16-17-14(20)12-5-4-8-21-12/h4-5,8,10-11H,6-7,9,15H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyKGDMTZQLKNGZOG-UHFFFAOYSA-N
XLogP0.81
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 81490839
N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide
CID 62016772
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119659146
N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide
CID 60686825
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate
CID 62026843
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119660635
3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid
CID 62826028
N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 119657257
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide
CID 81491089
N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide
CID 115927504

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide (CID 115317749) is N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide is CC(C)C(N)CCN(C)CC(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide?
The InChIKey is KGDMTZQLKNGZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-10(2)11(15)6-7-18(3)9-13(19)16-17-14(20)12-5-4-8-21-12/h4-5,8,10-11H,6-7,9,15H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide?
N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide has a molecular weight of 312.44 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 115317749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).