ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide

C8H19N3 — CID 142912446

IUPACethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide
SMILESCC.[H]/N=C/N(C)/N=C\C(C)C
InChIInChI=1S/C6H13N3.C2H6/c1-6(2)4-8-9(3)5-7;1-2/h4-7H,1-3H3;1-2H3/b7-5+,8-4-;
InChIKeyIPXLFOXGKFUXFN-XQLLPMEDSA-N
MW157.26 g/mol
LogP2.19
Rot. Bonds3

About ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide

ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide (PubChem CID 142912446) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide.

Molecular Properties

Compound Nameethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide
PubChem CID142912446
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Nameethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide
SMILESCC.[H]/N=C/N(C)/N=C\C(C)C
InChIInChI=1S/C6H13N3.C2H6/c1-6(2)4-8-9(3)5-7;1-2/h4-7H,1-3H3;1-2H3/b7-5+,8-4-;
InChIKeyIPXLFOXGKFUXFN-XQLLPMEDSA-N
XLogP2.19
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.19
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-bromo-N-(2-methylpropylideneamino)methanamine
CID 123753920
N,N-di(propan-2-yl)methanimidamide
CID 19782034
N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide
CID 144511470
N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide
CID 166820819
3-methyl-N'-(2-methylpropylidene)-2-propan-2-ylbutane-1,4-diimine
CID 89312014
N'-(1-iminopropan-2-yl)-N-(2-methylpropylidene)methanimidamide
CID 142458847
2-methyl-N-[(Z)-2-methylpropylideneamino]-N-propan-2-ylpropan-1-amine
CID 5372620
N-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide
CID 163605686
N,N-dimethylmethanimidamide;N-methylhydroxylamine
CID 156650202
N-(aminomethyl)-N-methylmethanimidamide
CID 173489214
N'-methanimidoyl-N,N-dimethylmethanimidamide
CID 154515557
N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide
CID 144974257

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide?
The IUPAC name of ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide (CID 142912446) is ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide.
What is the SMILES notation for ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide?
The canonical SMILES for ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide is CC.[H]/N=C/N(C)/N=C\C(C)C.
What is the InChIKey of ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide?
The InChIKey is IPXLFOXGKFUXFN-XQLLPMEDSA-N. The full InChI is InChI=1S/C6H13N3.C2H6/c1-6(2)4-8-9(3)5-7;1-2/h4-7H,1-3H3;1-2H3/b7-5+,8-4-;.
What are the key properties of ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide?
ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide has a molecular weight of 157.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide is sourced from PubChem (CID 142912446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).