tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate

C15H30N4O2 — CID 111085901

IUPACtert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate
SMILESCCCN/C(N)=N/CC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N4O2/c1-5-9-17-13(16)18-11-12-8-6-7-10-19(12)14(20)21-15(2,3)4/h12H,5-11H2,1-4H3,(H3,16,17,18)
InChIKeySTPYRAFFFKMNLD-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.09
Rot. Bonds4

About tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate

tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate (PubChem CID 111085901) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate
PubChem CID111085901
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Nametert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate
SMILESCCCN/C(N)=N/CC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N4O2/c1-5-9-17-13(16)18-11-12-8-6-7-10-19(12)14(20)21-15(2,3)4/h12H,5-11H2,1-4H3,(H3,16,17,18)
InChIKeySTPYRAFFFKMNLD-UHFFFAOYSA-N
XLogP2.09
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.09
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'}

Analyze tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 111085931
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl (2R)-2-(2-hydrazinyl-2-oxoethyl)piperidine-1-carboxylate
CID 126582665
tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111085918
tert-butyl 2-[[[amino(morpholin-4-yl)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111085898
tert-butyl 2-(propylamino)piperidine-1-carboxylate
CID 141154909
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-[[[ethylamino-(3-methoxypropylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 110974142
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-[[[N'-[(3,4-dimethoxyphenyl)methyl]carbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 111085925

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate (CID 111085901) is tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate is CCCN/C(N)=N/CC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate?
The InChIKey is STPYRAFFFKMNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-5-9-17-13(16)18-11-12-8-6-7-10-19(12)14(20)21-15(2,3)4/h12H,5-11H2,1-4H3,(H3,16,17,18).
What are the key properties of tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 111085901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).