N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C14H18N4S — CID 62470809

IUPACN-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESNNc1cc(CN(Cc2ccsc2)C2CC2)ccn1
InChIInChI=1S/C14H18N4S/c15-17-14-7-11(3-5-16-14)8-18(13-1-2-13)9-12-4-6-19-10-12/h3-7,10,13H,1-2,8-9,15H2,(H,16,17)
InChIKeyKWKBZHZFLJJDCT-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.59
Rot. Bonds6

About N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 62470809) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID62470809
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESNNc1cc(CN(Cc2ccsc2)C2CC2)ccn1
InChIInChI=1S/C14H18N4S/c15-17-14-7-11(3-5-16-14)8-18(13-1-2-13)9-12-4-6-19-10-12/h3-7,10,13H,1-2,8-9,15H2,(H,16,17)
InChIKeyKWKBZHZFLJJDCT-UHFFFAOYSA-N
XLogP2.59
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80896481
2-[cyclopentyl-[(2-hydrazinyl-4-pyridinyl)methyl]amino]acetamide
CID 62471525
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
4-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-methylcyclohexan-1-amine
CID 55075272
2-amino-4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
CID 61434075
N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61434645
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 79243021
1-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62470814
4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
CID 61434027
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62436984

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 62470809) is N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is NNc1cc(CN(Cc2ccsc2)C2CC2)ccn1.
What is the InChIKey of N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is KWKBZHZFLJJDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c15-17-14-7-11(3-5-16-14)8-18(13-1-2-13)9-12-4-6-19-10-12/h3-7,10,13H,1-2,8-9,15H2,(H,16,17).
What are the key properties of N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 274.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 62470809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).