N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide

C6H13N3 — CID 166820819

IUPACN-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide
SMILES[H]/N=C/N(/N=C\C)C(C)C
InChIInChI=1S/C6H13N3/c1-4-8-9(5-7)6(2)3/h4-7H,1-3H3/b7-5+,8-4-
InChIKeyDBERXUPKHVOAQE-KXSFUDOZSA-N
MW127.19 g/mol
LogP1.31
Rot. Bonds3

About N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide

N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide (PubChem CID 166820819) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide
PubChem CID166820819
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide
SMILES[H]/N=C/N(/N=C\C)C(C)C
InChIInChI=1S/C6H13N3/c1-4-8-9(5-7)6(2)3/h4-7H,1-3H3/b7-5+,8-4-
InChIKeyDBERXUPKHVOAQE-KXSFUDOZSA-N
XLogP1.31
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.31
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,N-di(propan-2-yl)methanimidamide
CID 19782034
ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide
CID 142912446
N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide
CID 144511470
N-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide
CID 139333475
N,N-dimethylmethanimidamide;N-methylhydroxylamine
CID 156650202
ethane;N-ethylidene-N'-methanimidoylmethanimidamide;prop-1-ene
CID 144524018
1-(ethylideneamino)-1-methylguanidine;hydrochloride
CID 129017623
N-(aminomethyl)-N-(2-methylpropyl)methanimidamide
CID 88959033
[[di(propan-2-yl)amino]-methanimidoylphosphanyl]formonitrile
CID 12022958
3-fluorobutane-1,2-diimine
CID 171535036
1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol
CID 171780139
N-(difluoromethyl)-N-ethylmethanimidamide
CID 89233536

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide?
The IUPAC name of N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide (CID 166820819) is N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide?
The canonical SMILES for N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide is [H]/N=C/N(/N=C\C)C(C)C.
What is the InChIKey of N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide?
The InChIKey is DBERXUPKHVOAQE-KXSFUDOZSA-N. The full InChI is InChI=1S/C6H13N3/c1-4-8-9(5-7)6(2)3/h4-7H,1-3H3/b7-5+,8-4-.
What are the key properties of N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide?
N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 166820819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).