N-methanimidoyl-N-(2-methylpropyl)methanimidamide

C6H13N3 — CID 123909827

IUPACN-methanimidoyl-N-(2-methylpropyl)methanimidamide
SMILES[H]/N=C/N(/C=N/[H])CC(C)C
InChIInChI=1S/C6H13N3/c1-6(2)3-9(4-7)5-8/h4-8H,3H2,1-2H3/b7-4+,8-5+
InChIKeyUOWWEHKJZFMAGM-NSLJXJERSA-N
MW127.19 g/mol
LogP1.16
Rot. Bonds4

About N-methanimidoyl-N-(2-methylpropyl)methanimidamide

N-methanimidoyl-N-(2-methylpropyl)methanimidamide (PubChem CID 123909827) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-methanimidoyl-N-(2-methylpropyl)methanimidamide.

Molecular Properties

Compound NameN-methanimidoyl-N-(2-methylpropyl)methanimidamide
PubChem CID123909827
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-methanimidoyl-N-(2-methylpropyl)methanimidamide
SMILES[H]/N=C/N(/C=N/[H])CC(C)C
InChIInChI=1S/C6H13N3/c1-6(2)3-9(4-7)5-8/h4-8H,3H2,1-2H3/b7-4+,8-5+
InChIKeyUOWWEHKJZFMAGM-NSLJXJERSA-N
XLogP1.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.16
H-Bond Donors ≤ 52
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

N,N-Dipropylimidoformamide
CID 87832225
N-methyl-N-(2-methylpropyl)guanidine hydrochloride
CID 126805767
N-methyl-N-propylformamidine
CID 19782058
N-(3-fluoropropyl)-N-methylmethanimidamide
CID 54223803
N-butyl-N-methylmethanimidamide
CID 12914603
N-ethyl-N-methylmethanimidamide
CID 20348162
N-Methyl-N-(2-methylpropyl)guanidine
CID 21643856
(3-Methylazetidin-1-yl)methanimine
CID 69073182
N,N-bis(2-methylpropyl)methanimidamide
CID 88590202
N-(aminomethyl)-N-(2-methylpropyl)methanimidamide
CID 88959033
N-methyl-N-propylmethanimidamide
CID 91040161
N-methyl-N-(2-methylpropyl)methanimidamide
CID 123491740

Frequently Asked Questions

What is the IUPAC name of N-methanimidoyl-N-(2-methylpropyl)methanimidamide?
The IUPAC name of N-methanimidoyl-N-(2-methylpropyl)methanimidamide (CID 123909827) is N-methanimidoyl-N-(2-methylpropyl)methanimidamide.
What is the SMILES notation for N-methanimidoyl-N-(2-methylpropyl)methanimidamide?
The canonical SMILES for N-methanimidoyl-N-(2-methylpropyl)methanimidamide is [H]/N=C/N(/C=N/[H])CC(C)C.
What is the InChIKey of N-methanimidoyl-N-(2-methylpropyl)methanimidamide?
The InChIKey is UOWWEHKJZFMAGM-NSLJXJERSA-N. The full InChI is InChI=1S/C6H13N3/c1-6(2)3-9(4-7)5-8/h4-8H,3H2,1-2H3/b7-4+,8-5+.
What are the key properties of N-methanimidoyl-N-(2-methylpropyl)methanimidamide?
N-methanimidoyl-N-(2-methylpropyl)methanimidamide has a molecular weight of 127.19 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanimidoyl-N-(2-methylpropyl)methanimidamide is sourced from PubChem (CID 123909827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).