N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide

C9H19N3 — CID 91278102

IUPACN',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide
SMILESC/N=C(\NN=C(C)C)C(C)(C)C
InChIInChI=1S/C9H19N3/c1-7(2)11-12-8(10-6)9(3,4)5/h1-6H3,(H,10,12)
InChIKeyNFJNSBWCQIBOGW-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.05
Rot. Bonds1

About N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide

N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide (PubChem CID 91278102) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide.

Molecular Properties

Compound NameN',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide
PubChem CID91278102
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide
SMILESC/N=C(\NN=C(C)C)C(C)(C)C
InChIInChI=1S/C9H19N3/c1-7(2)11-12-8(10-6)9(3,4)5/h1-6H3,(H,10,12)
InChIKeyNFJNSBWCQIBOGW-UHFFFAOYSA-N
XLogP2.05
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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',2,2-trimethyl-N-phosphanylpropanimidamide
CID 166726480
N-(ethylamino)-N',2,2-trimethylpropanimidamide
CID 146267713
N-cyano-N',2,2-trimethylpropanimidamide
CID 59465497
N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide
CID 18323527
methyl N'-tert-butyl-N-(propan-2-ylideneamino)carbamimidothioate
CID 11138139
N,N',2-trimethyl-2-[[2-methyl-1-(methylamino)-1-methyliminopropan-2-yl]diazenyl]propanimidamide;dihydrochloride
CID 19917315
N-(3,3-dimethylbutan-2-ylideneamino)methanamine
CID 86118020
tert-butyl N-methylethanehydrazonate
CID 159503466
(propan-2-ylideneamino)urea;sulfane;urea
CID 174867107
1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine
CID 59021791
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
1-(3,3-dimethylbutyl)-1,2,3-trimethylguanidine
CID 20755638

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide?
The IUPAC name of N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide (CID 91278102) is N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide.
What is the SMILES notation for N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide?
The canonical SMILES for N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide is C/N=C(\NN=C(C)C)C(C)(C)C.
What is the InChIKey of N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide?
The InChIKey is NFJNSBWCQIBOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)11-12-8(10-6)9(3,4)5/h1-6H3,(H,10,12).
What are the key properties of N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide?
N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide has a molecular weight of 169.27 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide is sourced from PubChem (CID 91278102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).