N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide

C8H15N3 — CID 142458847

IUPACN'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide
SMILES[H]/N=C/C(C)/N=C/N=C/C(C)C
InChIInChI=1S/C8H15N3/c1-7(2)5-10-6-11-8(3)4-9/h4-9H,1-3H3/b9-4+,10-5+,11-6+
InChIKeyRILPALGAWODNPU-RYRBNAPQSA-N
MW153.23 g/mol
LogP1.78
Rot. Bonds4

About N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide

N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide (PubChem CID 142458847) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide.

Molecular Properties

Compound NameN'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide
PubChem CID142458847
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide
SMILES[H]/N=C/C(C)/N=C/N=C/C(C)C
InChIInChI=1S/C8H15N3/c1-7(2)5-10-6-11-8(3)4-9/h4-9H,1-3H3/b9-4+,10-5+,11-6+
InChIKeyRILPALGAWODNPU-RYRBNAPQSA-N
XLogP1.78
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.78
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'}

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Related Compounds

3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine
CID 89312014
ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide
CID 142912446
1-iminopropan-2-ol;hydrochloride
CID 158886323
3-propan-2-ylsulfanylpropan-1-imine
CID 130460369
[(2R,3S)-3-hydroxy-4-imino-2-methylbutyl]oxidanium
CID 163682954
N-[(E)-2,3-dimethylbut-1-enyl]-2-methylpropan-1-imine
CID 155416252
5-methylhexane-1,4-diimine
CID 156550679
4-chloro-2,3-dimethylbutan-1-imine
CID 135137361
5-imino-4-methylpentan-2-amine
CID 123629957
(Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine
CID 166995370
2-cyclopropylpropane-1,3-diimine
CID 123305040
2,4-dimethylhexan-1-imine
CID 88882138

Frequently Asked Questions

What is the IUPAC name of N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide?
The IUPAC name of N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide (CID 142458847) is N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide.
What is the SMILES notation for N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide?
The canonical SMILES for N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide is [H]/N=C/C(C)/N=C/N=C/C(C)C.
What is the InChIKey of N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide?
The InChIKey is RILPALGAWODNPU-RYRBNAPQSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(2)5-10-6-11-8(3)4-9/h4-9H,1-3H3/b9-4+,10-5+,11-6+.
What are the key properties of N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide?
N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide is sourced from PubChem (CID 142458847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).