N-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine

C12H23NO — CID 66044346

IUPACN-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine
SMILESC=C(CC)CC(CC1CCCO1)NC
InChIInChI=1S/C12H23NO/c1-4-10(2)8-11(13-3)9-12-6-5-7-14-12/h11-13H,2,4-9H2,1,3H3
InChIKeyNNTVSOAXGKJUPG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds6

About N-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine

N-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine (PubChem CID 66044346) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine.

Molecular Properties

Compound NameN-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine
PubChem CID66044346
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine
SMILESC=C(CC)CC(CC1CCCO1)NC
InChIInChI=1S/C12H23NO/c1-4-10(2)8-11(13-3)9-12-6-5-7-14-12/h11-13H,2,4-9H2,1,3H3
InChIKeyNNTVSOAXGKJUPG-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine?
The IUPAC name of N-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine (CID 66044346) is N-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine.
What is the SMILES notation for N-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine?
The canonical SMILES for N-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine is C=C(CC)CC(CC1CCCO1)NC.
What is the InChIKey of N-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine?
The InChIKey is NNTVSOAXGKJUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(2)8-11(13-3)9-12-6-5-7-14-12/h11-13H,2,4-9H2,1,3H3.
What are the key properties of N-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine?
N-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine is sourced from PubChem (CID 66044346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).