3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide

C13H21N3S — CID 61434663

IUPAC3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H21N3S/c1-2-11(7-13(14)15)16(12-3-4-12)8-10-5-6-17-9-10/h5-6,9,11-12H,2-4,7-8H2,1H3,(H3,14,15)
InChIKeyBWVNTYGSCZUPGK-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.82
Rot. Bonds7

About 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide

3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide (PubChem CID 61434663) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide
PubChem CID61434663
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H21N3S/c1-2-11(7-13(14)15)16(12-3-4-12)8-10-5-6-17-9-10/h5-6,9,11-12H,2-4,7-8H2,1H3,(H3,14,15)
InChIKeyBWVNTYGSCZUPGK-UHFFFAOYSA-N
XLogP2.82
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide
CID 66426893
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 61433947
3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
CID 43528289
2-N-cyclopropyl-1-N-propan-2-yl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62436808
3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide
CID 54994326
3-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513410
N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433894
N-cyclopropyl-1-thiophen-3-yl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433804
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate
CID 64687774
1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62570532

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide?
The IUPAC name of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide (CID 61434663) is 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide.
What is the SMILES notation for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide?
The canonical SMILES for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide is [H]/N=C(\N)CC(CC)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide?
The InChIKey is BWVNTYGSCZUPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-11(7-13(14)15)16(12-3-4-12)8-10-5-6-17-9-10/h5-6,9,11-12H,2-4,7-8H2,1H3,(H3,14,15).
What are the key properties of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide?
3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide has a molecular weight of 251.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide is sourced from PubChem (CID 61434663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).