N-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide

C10H19N3 — CID 123440987

IUPACN-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C(=C)C(C)CCNC
InChIInChI=1S/C10H19N3/c1-8(5-6-12-4)9(2)7-13-10(3)11/h7-8,11-12H,2,5-6H2,1,3-4H3/b11-10+,13-7+
InChIKeyGXNOJZBFZFBRTD-DTICODAZSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds5

About N-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide

N-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide (PubChem CID 123440987) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide.

Molecular Properties

Compound NameN-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide
PubChem CID123440987
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C(=C)C(C)CCNC
InChIInChI=1S/C10H19N3/c1-8(5-6-12-4)9(2)7-13-10(3)11/h7-8,11-12H,2,5-6H2,1,3-4H3/b11-10+,13-7+
InChIKeyGXNOJZBFZFBRTD-DTICODAZSA-N
XLogP1.86
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
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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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide?
The IUPAC name of N-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide (CID 123440987) is N-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide.
What is the SMILES notation for N-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide?
The canonical SMILES for N-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide is [H]/N=C(C)/N=C/C(=C)C(C)CCNC.
What is the InChIKey of N-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide?
The InChIKey is GXNOJZBFZFBRTD-DTICODAZSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(5-6-12-4)9(2)7-13-10(3)11/h7-8,11-12H,2,5-6H2,1,3-4H3/b11-10+,13-7+.
What are the key properties of N-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide?
N-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide has a molecular weight of 181.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-(methylamino)-2-methylidenepentylidene]ethanimidamide is sourced from PubChem (CID 123440987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).