2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine

C12H21N — CID 70658277

IUPAC2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine
SMILESC=C1C=CCC(CNC(C)(C)C)C1
InChIInChI=1S/C12H21N/c1-10-6-5-7-11(8-10)9-13-12(2,3)4/h5-6,11,13H,1,7-9H2,2-4H3
InChIKeyYIMXRLUCAUEGBW-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.90
Rot. Bonds2

About 2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine

2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine (PubChem CID 70658277) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine
PubChem CID70658277
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine
SMILESC=C1C=CCC(CNC(C)(C)C)C1
InChIInChI=1S/C12H21N/c1-10-6-5-7-11(8-10)9-13-12(2,3)4/h5-6,11,13H,1,7-9H2,2-4H3
InChIKeyYIMXRLUCAUEGBW-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine (CID 70658277) is 2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine is C=C1C=CCC(CNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine?
The InChIKey is YIMXRLUCAUEGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10-6-5-7-11(8-10)9-13-12(2,3)4/h5-6,11,13H,1,7-9H2,2-4H3.
What are the key properties of 2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine?
2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine has a molecular weight of 179.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methylidenecyclohex-3-en-1-yl)methyl]propan-2-amine is sourced from PubChem (CID 70658277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).