N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide

C13H27N5O — CID 104888342

IUPACN-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide
SMILESCC(C)(C)NC(=O)CC/N=C(\NN)NC1CCCC1
InChIInChI=1S/C13H27N5O/c1-13(2,3)17-11(19)8-9-15-12(18-14)16-10-6-4-5-7-10/h10H,4-9,14H2,1-3H3,(H,17,19)(H2,15,16,18)
InChIKeyZGUZHQUTAMZOPE-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.64
Rot. Bonds4

About N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide

N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide (PubChem CID 104888342) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide
PubChem CID104888342
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC NameN-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide
SMILESCC(C)(C)NC(=O)CC/N=C(\NN)NC1CCCC1
InChIInChI=1S/C13H27N5O/c1-13(2,3)17-11(19)8-9-15-12(18-14)16-10-6-4-5-7-10/h10H,4-9,14H2,1-3H3,(H,17,19)(H2,15,16,18)
InChIKeyZGUZHQUTAMZOPE-UHFFFAOYSA-N
XLogP0.64
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.64
H-Bond Donors ≤ 54
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

3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
CID 104888371
N-tert-butyl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
CID 104888339
2-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N-ethylacetamide
CID 104883990
2-[[(cyclopentylamino)-hydrazinylmethylidene]amino]acetamide
CID 104882876
3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
CID 104888373
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
CID 106013169
1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
CID 104886471
1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine
CID 104888658
N-tert-butyl-3-(cyclooctylamino)propanamide
CID 112688516
3-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110992518
3-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N-(2-methoxyethyl)propanamide
CID 75532770

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide?
The IUPAC name of N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide (CID 104888342) is N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide is CC(C)(C)NC(=O)CC/N=C(\NN)NC1CCCC1.
What is the InChIKey of N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide?
The InChIKey is ZGUZHQUTAMZOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c1-13(2,3)17-11(19)8-9-15-12(18-14)16-10-6-4-5-7-10/h10H,4-9,14H2,1-3H3,(H,17,19)(H2,15,16,18).
What are the key properties of N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide?
N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide has a molecular weight of 269.39 g/mol, XLogP of 0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide is sourced from PubChem (CID 104888342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).