N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide

C10H23N3 — CID 89221528

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide
SMILESC/N=C/NCCN(C(C)C)C(C)C
InChIInChI=1S/C10H23N3/c1-9(2)13(10(3)4)7-6-12-8-11-5/h8-10H,6-7H2,1-5H3,(H,11,12)
InChIKeyVADXEKRILCOIRM-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.35
Rot. Bonds6

About N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide

N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide (PubChem CID 89221528) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide
PubChem CID89221528
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide
SMILESC/N=C/NCCN(C(C)C)C(C)C
InChIInChI=1S/C10H23N3/c1-9(2)13(10(3)4)7-6-12-8-11-5/h8-10H,6-7H2,1-5H3,(H,11,12)
InChIKeyVADXEKRILCOIRM-UHFFFAOYSA-N
XLogP1.35
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide (CID 89221528) is N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide is C/N=C/NCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide?
The InChIKey is VADXEKRILCOIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-9(2)13(10(3)4)7-6-12-8-11-5/h8-10H,6-7H2,1-5H3,(H,11,12).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide?
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide has a molecular weight of 185.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide is sourced from PubChem (CID 89221528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).