N-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide

C6H13N3 — CID 130219478

IUPACN-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide
SMILESC=N/N=C\N(C)C(C)C
InChIInChI=1S/C6H13N3/c1-6(2)9(4)5-8-7-3/h5-6H,3H2,1-2,4H3/b8-5-
InChIKeyGFTHCCONJINNPX-YVMONPNESA-N
MW127.19 g/mol
LogP0.97
Rot. Bonds3

About N-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide

N-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide (PubChem CID 130219478) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide
PubChem CID130219478
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide
SMILESC=N/N=C\N(C)C(C)C
InChIInChI=1S/C6H13N3/c1-6(2)9(4)5-8-7-3/h5-6H,3H2,1-2,4H3/b8-5-
InChIKeyGFTHCCONJINNPX-YVMONPNESA-N
XLogP0.97
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.97
H-Bond Donors ≤ 50
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

ethane;N-ethenyl-N-methylpropan-2-amine
CID 145207975
N'-(ethenylamino)-N-methyl-N-propan-2-ylmethanimidamide
CID 129015789
N-methyl-N-propan-2-yl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide
CID 174245066
N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide
CID 146439180
(Z)-N-(methylideneamino)propan-1-imine
CID 123803928
N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide
CID 138660101
N'-ethenyl-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143238901
N-methyl-N-[(Z)-2-(methylideneamino)-2-(2-methylthiiran-2-yl)ethenyl]propan-2-amine
CID 166678864
N'-[2,5-dimethyl-4-(2-methylprop-2-enyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide
CID 144794507
N,N-bis(ethenyl)propan-2-amine;ethane
CID 171846694
N,N-di(propan-2-yl)propan-2-amine;N-methylmethanimine;2-methylpropane
CID 123192010
(1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine
CID 143682568

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide?
The IUPAC name of N-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide (CID 130219478) is N-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide?
The canonical SMILES for N-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide is C=N/N=C\N(C)C(C)C.
What is the InChIKey of N-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide?
The InChIKey is GFTHCCONJINNPX-YVMONPNESA-N. The full InChI is InChI=1S/C6H13N3/c1-6(2)9(4)5-8-7-3/h5-6H,3H2,1-2,4H3/b8-5-.
What are the key properties of N-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide?
N-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(methylideneamino)-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 130219478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).