N-amino-3-methyl-N'-propan-2-ylbutanimidamide

C8H19N3 — CID 61362301

IUPACN-amino-3-methyl-N'-propan-2-ylbutanimidamide
SMILESCC(C)C/C(=N/C(C)C)NN
InChIInChI=1S/C8H19N3/c1-6(2)5-8(11-9)10-7(3)4/h6-7H,5,9H2,1-4H3,(H,10,11)
InChIKeyHYECLOIRAYATDW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.30
Rot. Bonds3

About N-amino-3-methyl-N'-propan-2-ylbutanimidamide

N-amino-3-methyl-N'-propan-2-ylbutanimidamide (PubChem CID 61362301) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is N-amino-3-methyl-N'-propan-2-ylbutanimidamide.

Molecular Properties

Compound NameN-amino-3-methyl-N'-propan-2-ylbutanimidamide
PubChem CID61362301
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC NameN-amino-3-methyl-N'-propan-2-ylbutanimidamide
SMILESCC(C)C/C(=N/C(C)C)NN
InChIInChI=1S/C8H19N3/c1-6(2)5-8(11-9)10-7(3)4/h6-7H,5,9H2,1-4H3,(H,10,11)
InChIKeyHYECLOIRAYATDW-UHFFFAOYSA-N
XLogP1.30
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.30
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-3-cyclopentyl-N'-propan-2-ylpropanimidamide
CID 61362883
3-amino-1,1-bis(3-methylbutyl)-2-propan-2-ylguanidine
CID 107871905
3-amino-1-ethyl-1,2-di(propan-2-yl)guanidine
CID 104883546
2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide
CID 101496676
N-cyano-N'-propan-2-ylpropanimidamide
CID 55299461
4-methyl-N'-propan-2-ylpentanimidamide
CID 63181653
1-amino-2-methyl-3-(4-methylpentan-2-yl)guanidine
CID 104881993
3-amino-1-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylguanidine
CID 104884044
3-[[amino(hydrazinyl)methylidene]amino]butanamide
CID 104870450
3-amino-1-ethyl-1-(2-ethylbutyl)-2-propan-2-ylguanidine
CID 104884798
3-amino-1-butyl-1-ethyl-2-propan-2-ylguanidine
CID 104883418
3-amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887042

Frequently Asked Questions

What is the IUPAC name of N-amino-3-methyl-N'-propan-2-ylbutanimidamide?
The IUPAC name of N-amino-3-methyl-N'-propan-2-ylbutanimidamide (CID 61362301) is N-amino-3-methyl-N'-propan-2-ylbutanimidamide.
What is the SMILES notation for N-amino-3-methyl-N'-propan-2-ylbutanimidamide?
The canonical SMILES for N-amino-3-methyl-N'-propan-2-ylbutanimidamide is CC(C)C/C(=N/C(C)C)NN.
What is the InChIKey of N-amino-3-methyl-N'-propan-2-ylbutanimidamide?
The InChIKey is HYECLOIRAYATDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-6(2)5-8(11-9)10-7(3)4/h6-7H,5,9H2,1-4H3,(H,10,11).
What are the key properties of N-amino-3-methyl-N'-propan-2-ylbutanimidamide?
N-amino-3-methyl-N'-propan-2-ylbutanimidamide has a molecular weight of 157.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-methyl-N'-propan-2-ylbutanimidamide is sourced from PubChem (CID 61362301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).