2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide

C10H20N2 — CID 174243918

IUPAC2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide
SMILES[H]/N=C(\C(C)C)N(C(=C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-7(2)10(11)12(8(3)4)9(5)6/h7,9,11H,3H2,1-2,4-6H3/b11-10+
InChIKeySAEWDDPFBBMQNN-ZHACJKMWSA-N
MW168.28 g/mol
LogP2.86
Rot. Bonds3

About 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide

2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide (PubChem CID 174243918) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide
PubChem CID174243918
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide
SMILES[H]/N=C(\C(C)C)N(C(=C)C)C(C)C
InChIInChI=1S/C10H20N2/c1-7(2)10(11)12(8(3)4)9(5)6/h7,9,11H,3H2,1-2,4-6H3/b11-10+
InChIKeySAEWDDPFBBMQNN-ZHACJKMWSA-N
XLogP2.86
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide?
The IUPAC name of 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide (CID 174243918) is 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide.
What is the SMILES notation for 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide?
The canonical SMILES for 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide is [H]/N=C(\C(C)C)N(C(=C)C)C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide?
The InChIKey is SAEWDDPFBBMQNN-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2/c1-7(2)10(11)12(8(3)4)9(5)6/h7,9,11H,3H2,1-2,4-6H3/b11-10+.
What are the key properties of 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide?
2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylpropanimidamide is sourced from PubChem (CID 174243918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).