N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide

C14H30N4O — CID 103504876

IUPACN-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H30N4O/c1-4-19-11-5-8-16-14(17-15)18-9-6-13(7-10-18)12(2)3/h12-13H,4-11,15H2,1-3H3,(H,16,17)
InChIKeyUGNDPZAJXJYKBX-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.60
Rot. Bonds6

About N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide

N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide (PubChem CID 103504876) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide
PubChem CID103504876
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC NameN-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H30N4O/c1-4-19-11-5-8-16-14(17-15)18-9-6-13(7-10-18)12(2)3/h12-13H,4-11,15H2,1-3H3,(H,16,17)
InChIKeyUGNDPZAJXJYKBX-UHFFFAOYSA-N
XLogP1.60
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N-amino-N'-(3-ethoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887064
N-amino-N'-(3-methoxypropyl)-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887068
N-amino-N'-(3-ethoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887094
N-amino-N'-(3-methoxypropyl)-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887098
N-amino-N'-(3-ethoxypropyl)-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102972031
N-amino-N'-(2-methylpropyl)-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504868
N-amino-N'-(3-methoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504870
N-amino-N'-methyl-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504872
N-amino-4-propan-2-yl-N'-propylpiperidine-1-carboximidamide
CID 103504874
N-amino-N'-(1-methoxypropan-2-yl)-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504877
N-amino-N'-butyl-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504878
N-amino-N'-ethyl-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504879

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide (CID 103504876) is N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide is CCOCCC/N=C(\NN)N1CCC(C(C)C)CC1.
What is the InChIKey of N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide?
The InChIKey is UGNDPZAJXJYKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-4-19-11-5-8-16-14(17-15)18-9-6-13(7-10-18)12(2)3/h12-13H,4-11,15H2,1-3H3,(H,16,17).
What are the key properties of N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide?
N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide has a molecular weight of 270.42 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-ethoxypropyl)-4-propan-2-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 103504876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).