N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide

C11H24N4 — CID 104887147

IUPACN-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCCC1C(C)C
InChIInChI=1S/C11H24N4/c1-4-7-13-11(14-12)15-8-5-6-10(15)9(2)3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyRTMKYZMGNZDCPD-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.34
Rot. Bonds3

About N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide

N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide (PubChem CID 104887147) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide
PubChem CID104887147
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC NameN-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCCC1C(C)C
InChIInChI=1S/C11H24N4/c1-4-7-13-11(14-12)15-8-5-6-10(15)9(2)3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyRTMKYZMGNZDCPD-UHFFFAOYSA-N
XLogP1.34
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-amino-2-ethyl-N'-propylazepane-1-carboximidamide
CID 104888675
N-amino-N',2-dipropylpiperidine-1-carboximidamide
CID 104887900
N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide
CID 104887294
N-amino-N'-propylthiomorpholine-4-carboximidamide
CID 104883433
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 124508505
N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 104882599
N-amino-N'-propyl-2-thia-5-azabicyclo[2.2.1]heptane-5-carboximidamide
CID 130679879
N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883912
N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide
CID 104885951
N-methyl-2-propan-2-ylpyrrolidine-1-carbothioamide
CID 115593463
N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide
CID 116513546

Frequently Asked Questions

What is the IUPAC name of N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide (CID 104887147) is N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide is CCC/N=C(\NN)N1CCCC1C(C)C.
What is the InChIKey of N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide?
The InChIKey is RTMKYZMGNZDCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-4-7-13-11(14-12)15-8-5-6-10(15)9(2)3/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide?
N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide has a molecular weight of 212.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104887147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).