N-amino-N'-tert-butylpentanimidamide

C9H21N3 — CID 61362720

IUPACN-amino-N'-tert-butylpentanimidamide
SMILESCCCC/C(=N\C(C)(C)C)NN
InChIInChI=1S/C9H21N3/c1-5-6-7-8(12-10)11-9(2,3)4/h5-7,10H2,1-4H3,(H,11,12)
InChIKeyVOJAVJPDOFQBED-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.84
Rot. Bonds3

About N-amino-N'-tert-butylpentanimidamide

N-amino-N'-tert-butylpentanimidamide (PubChem CID 61362720) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N-amino-N'-tert-butylpentanimidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butylpentanimidamide
PubChem CID61362720
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN-amino-N'-tert-butylpentanimidamide
SMILESCCCC/C(=N\C(C)(C)C)NN
InChIInChI=1S/C9H21N3/c1-5-6-7-8(12-10)11-9(2,3)4/h5-7,10H2,1-4H3,(H,11,12)
InChIKeyVOJAVJPDOFQBED-UHFFFAOYSA-N
XLogP1.84
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.84
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-N'-tert-butylpropanimidamide
CID 61362723
N-amino-N'-tert-butyl-3,3-dimethylbutanimidamide
CID 61361306
N-amino-N'-ethyldecanimidamide
CID 65427174
N-amino-N'-propyldecanimidamide
CID 65427177
N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide
CID 61362907
1-amino-2-tert-butylguanidine
CID 13451339
tert-butyl-(C-butyl-N-tert-butylcarbonimidoyl)azanide;bis(cyclopentane);yttrium(3+)
CID 23231695
2-tert-butyl-1-methyl-1-pentylguanidine
CID 62359388
1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine
CID 104888851
1-amino-3-tert-butyl-2-propylguanidine
CID 104882795
1-amino-2-(2-aminopentan-2-yl)guanidine
CID 163508478
4-tert-butyloct-3-ene
CID 123879820

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-tert-butylpentanimidamide?
The IUPAC name of N-amino-N'-tert-butylpentanimidamide (CID 61362720) is N-amino-N'-tert-butylpentanimidamide.
What is the SMILES notation for N-amino-N'-tert-butylpentanimidamide?
The canonical SMILES for N-amino-N'-tert-butylpentanimidamide is CCCC/C(=N\C(C)(C)C)NN.
What is the InChIKey of N-amino-N'-tert-butylpentanimidamide?
The InChIKey is VOJAVJPDOFQBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-5-6-7-8(12-10)11-9(2,3)4/h5-7,10H2,1-4H3,(H,11,12).
What are the key properties of N-amino-N'-tert-butylpentanimidamide?
N-amino-N'-tert-butylpentanimidamide has a molecular weight of 171.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-tert-butylpentanimidamide is sourced from PubChem (CID 61362720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).